5-[4-[[(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;4-[[(3S)-3-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile

C240H249N25O66S11 — CID 157152826

IUPAC5-[4-[[(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;4-[[(3S)-3-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile
SMILESCC(C)(O)CCOc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)N3)cc2)cn1.COc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)N3)cc2)c(C)n1.COc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)N3)cc2)cn1.Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cccc2c1OC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)N2)cc1.Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc2c1OC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)N2)cc1.Cc1nc(OCCC(C)(C)O)ccc1-c1cccc2c1OC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)N2)cc1.Cc1nc(OCCC(C)(C)O)ccc1Oc1cccc2c1OC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)N2)cc1.Cc1nc(OCCCS(C)(=O)=O)ccc1-c1cccc2c1OC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)N2)cc1.N#Cc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)N3)cc2)cc1
InChIInChI=1S/C30H34N2O7S.C29H32N2O8S2.C28H31N3O8S.C28H31N3O7S.C27H29N3O8S2.C27H29N3O8S.C24H23N3O7S.C24H19N3O6S.C23H21N3O7S/c1-18-14-22(37-13-12-30(3,4)34)15-19(2)28(18)24-7-5-6-23-26(17-38-29(23)24)39-21-10-8-20(9-11-21)25-16-27(33)32-40(35,36)31-25;1-18-14-22(37-12-5-13-40(3,33)34)15-19(2)28(18)24-7-4-6-23-26(17-38-29(23)24)39-21-10-8-20(9-11-21)25-16-27(32)31-41(35,36)30-25;1-17-22(11-12-26(29-17)36-14-13-28(2,3)33)39-23-6-4-5-20-24(16-37-27(20)23)38-19-9-7-18(8-10-19)21-15-25(32)31-40(34,35)30-21;1-17-20(11-12-26(29-17)36-14-13-28(2,3)33)21-5-4-6-22-24(16-37-27(21)22)38-19-9-7-18(8-10-19)23-15-25(32)31-39(34,35)30-23;1-17-20(11-12-26(28-17)36-13-4-14-39(2,32)33)21-5-3-6-22-24(16-37-27(21)22)38-19-9-7-18(8-10-19)23-15-25(31)30-40(34,35)29-23;1-27(2,32)12-13-35-25-11-10-19(15-28-25)38-22-5-3-4-20-23(16-36-26(20)22)37-18-8-6-17(7-9-18)21-14-24(31)30-39(33,34)29-21;1-14-19(10-11-23(25-14)31-2)34-20-5-3-4-17-21(13-32-24(17)20)33-16-8-6-15(7-9-16)18-12-22(28)27-35(29,30)26-18;25-13-15-4-8-17(9-5-15)32-21-3-1-2-19-22(14-31-24(19)21)33-18-10-6-16(7-11-18)20-12-23(28)27-34(29,30)26-20;1-30-22-10-9-16(12-24-22)33-19-4-2-3-17-20(13-31-23(17)19)32-15-7-5-14(6-8-15)18-11-21(27)26-34(28,29)25-18/h5-11,14-15,25-26,31,34H,12-13,16-17H2,1-4H3,(H,32,33);4,6-11,14-15,25-26,30H,5,12-13,16-17H2,1-3H3,(H,31,32);4-12,21,24,30,33H,13-16H2,1-3H3,(H,31,32);4-12,23-24,30,33H,13-16H2,1-3H3,(H,31,32);3,5-12,23-24,29H,4,13-16H2,1-2H3,(H,30,31);3-11,15,21,23,29,32H,12-14,16H2,1-2H3,(H,30,31);3-11,18,21,26H,12-13H2,1-2H3,(H,27,28);1-11,20,22,26H,12,14H2,(H,27,28);2-10,12,18,20,25H,11,13H2,1H3,(H,26,27)/t2*25?,26-;21?,24-;2*23?,24-;21?,23-;18?,21-;20?,22-;18?,20-/m111111111/s1
InChIKeyALLMEPUQBIUIJN-CZOYOLPLSA-N
MW4892.48 g/mol
LogP30.49
Rot. Bonds69

About 5-[4-[[(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;4-[[(3S)-3-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile

5-[4-[[(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;4-[[(3S)-3-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile (PubChem CID 157152826) has the molecular formula C240H249N25O66S11 and a molecular weight of 4892.48 g/mol. Its IUPAC name is 5-[4-[[(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;4-[[(3S)-3-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile.

Molecular Properties

Compound Name5-[4-[[(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;4-[[(3S)-3-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile
PubChem CID157152826
Molecular FormulaC240H249N25O66S11
Molecular Weight4892.48 g/mol
Exact Mass4888.38
IUPAC Name5-[4-[[(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;4-[[(3S)-3-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile
SMILESCC(C)(O)CCOc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)N3)cc2)cn1.COc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)N3)cc2)c(C)n1.COc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)N3)cc2)cn1.Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cccc2c1OC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)N2)cc1.Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc2c1OC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)N2)cc1.Cc1nc(OCCC(C)(C)O)ccc1-c1cccc2c1OC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)N2)cc1.Cc1nc(OCCC(C)(C)O)ccc1Oc1cccc2c1OC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)N2)cc1.Cc1nc(OCCCS(C)(=O)=O)ccc1-c1cccc2c1OC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)N2)cc1.N#Cc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)N3)cc2)cc1
InChIInChI=1S/C30H34N2O7S.C29H32N2O8S2.C28H31N3O8S.C28H31N3O7S.C27H29N3O8S2.C27H29N3O8S.C24H23N3O7S.C24H19N3O6S.C23H21N3O7S/c1-18-14-22(37-13-12-30(3,4)34)15-19(2)28(18)24-7-5-6-23-26(17-38-29(23)24)39-21-10-8-20(9-11-21)25-16-27(33)32-40(35,36)31-25;1-18-14-22(37-12-5-13-40(3,33)34)15-19(2)28(18)24-7-4-6-23-26(17-38-29(23)24)39-21-10-8-20(9-11-21)25-16-27(32)31-41(35,36)30-25;1-17-22(11-12-26(29-17)36-14-13-28(2,3)33)39-23-6-4-5-20-24(16-37-27(20)23)38-19-9-7-18(8-10-19)21-15-25(32)31-40(34,35)30-21;1-17-20(11-12-26(29-17)36-14-13-28(2,3)33)21-5-4-6-22-24(16-37-27(21)22)38-19-9-7-18(8-10-19)23-15-25(32)31-39(34,35)30-23;1-17-20(11-12-26(28-17)36-13-4-14-39(2,32)33)21-5-3-6-22-24(16-37-27(21)22)38-19-9-7-18(8-10-19)23-15-25(31)30-40(34,35)29-23;1-27(2,32)12-13-35-25-11-10-19(15-28-25)38-22-5-3-4-20-23(16-36-26(20)22)37-18-8-6-17(7-9-18)21-14-24(31)30-39(33,34)29-21;1-14-19(10-11-23(25-14)31-2)34-20-5-3-4-17-21(13-32-24(17)20)33-16-8-6-15(7-9-16)18-12-22(28)27-35(29,30)26-18;25-13-15-4-8-17(9-5-15)32-21-3-1-2-19-22(14-31-24(19)21)33-18-10-6-16(7-11-18)20-12-23(28)27-34(29,30)26-20;1-30-22-10-9-16(12-24-22)33-19-4-2-3-17-20(13-31-23(17)19)32-15-7-5-14(6-8-15)18-11-21(27)26-34(28,29)25-18/h5-11,14-15,25-26,31,34H,12-13,16-17H2,1-4H3,(H,32,33);4,6-11,14-15,25-26,30H,5,12-13,16-17H2,1-3H3,(H,31,32);4-12,21,24,30,33H,13-16H2,1-3H3,(H,31,32);4-12,23-24,30,33H,13-16H2,1-3H3,(H,31,32);3,5-12,23-24,29H,4,13-16H2,1-2H3,(H,30,31);3-11,15,21,23,29,32H,12-14,16H2,1-2H3,(H,30,31);3-11,18,21,26H,12-13H2,1-2H3,(H,27,28);1-11,20,22,26H,12,14H2,(H,27,28);2-10,12,18,20,25H,11,13H2,1H3,(H,26,27)/t2*25?,26-;21?,24-;2*23?,24-;21?,23-;18?,21-;20?,22-;18?,20-/m111111111/s1
InChIKeyALLMEPUQBIUIJN-CZOYOLPLSA-N
XLogP30.49
TPSA1213.89 Ų
H-Bond Donors22
H-Bond Acceptors73
Rotatable Bonds69
Heavy Atoms342
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004892.48
LogP ≤ 530.49
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1073

Analyze 5-[4-[[(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;4-[[(3S)-3-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;4-[[(3S)-3-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile?
The IUPAC name of 5-[4-[[(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;4-[[(3S)-3-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile (CID 157152826) is 5-[4-[[(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;4-[[(3S)-3-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile.
What is the SMILES notation for 5-[4-[[(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;4-[[(3S)-3-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile?
The canonical SMILES for 5-[4-[[(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;4-[[(3S)-3-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile is CC(C)(O)CCOc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)N3)cc2)cn1.COc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)N3)cc2)c(C)n1.COc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)N3)cc2)cn1.Cc1cc(OCCC(C)(C)O)cc(C)c1-c1cccc2c1OC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)N2)cc1.Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc2c1OC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)N2)cc1.Cc1nc(OCCC(C)(C)O)ccc1-c1cccc2c1OC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)N2)cc1.Cc1nc(OCCC(C)(C)O)ccc1Oc1cccc2c1OC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)N2)cc1.Cc1nc(OCCCS(C)(=O)=O)ccc1-c1cccc2c1OC[C@H]2Oc1ccc(C2CC(=O)NS(=O)(=O)N2)cc1.N#Cc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)N3)cc2)cc1.
What is the InChIKey of 5-[4-[[(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;4-[[(3S)-3-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile?
The InChIKey is ALLMEPUQBIUIJN-CZOYOLPLSA-N. The full InChI is InChI=1S/C30H34N2O7S.C29H32N2O8S2.C28H31N3O8S.C28H31N3O7S.C27H29N3O8S2.C27H29N3O8S.C24H23N3O7S.C24H19N3O6S.C23H21N3O7S/c1-18-14-22(37-13-12-30(3,4)34)15-19(2)28(18)24-7-5-6-23-26(17-38-29(23)24)39-21-10-8-20(9-11-21)25-16-27(33)32-40(35,36)31-25;1-18-14-22(37-12-5-13-40(3,33)34)15-19(2)28(18)24-7-4-6-23-26(17-38-29(23)24)39-21-10-8-20(9-11-21)25-16-27(32)31-41(35,36)30-25;1-17-22(11-12-26(29-17)36-14-13-28(2,3)33)39-23-6-4-5-20-24(16-37-27(20)23)38-19-9-7-18(8-10-19)21-15-25(32)31-40(34,35)30-21;1-17-20(11-12-26(29-17)36-14-13-28(2,3)33)21-5-4-6-22-24(16-37-27(21)22)38-19-9-7-18(8-10-19)23-15-25(32)31-39(34,35)30-23;1-17-20(11-12-26(28-17)36-13-4-14-39(2,32)33)21-5-3-6-22-24(16-37-27(21)22)38-19-9-7-18(8-10-19)23-15-25(31)30-40(34,35)29-23;1-27(2,32)12-13-35-25-11-10-19(15-28-25)38-22-5-3-4-20-23(16-36-26(20)22)37-18-8-6-17(7-9-18)21-14-24(31)30-39(33,34)29-21;1-14-19(10-11-23(25-14)31-2)34-20-5-3-4-17-21(13-32-24(17)20)33-16-8-6-15(7-9-16)18-12-22(28)27-35(29,30)26-18;25-13-15-4-8-17(9-5-15)32-21-3-1-2-19-22(14-31-24(19)21)33-18-10-6-16(7-11-18)20-12-23(28)27-34(29,30)26-20;1-30-22-10-9-16(12-24-22)33-19-4-2-3-17-20(13-31-23(17)19)32-15-7-5-14(6-8-15)18-11-21(27)26-34(28,29)25-18/h5-11,14-15,25-26,31,34H,12-13,16-17H2,1-4H3,(H,32,33);4,6-11,14-15,25-26,30H,5,12-13,16-17H2,1-3H3,(H,31,32);4-12,21,24,30,33H,13-16H2,1-3H3,(H,31,32);4-12,23-24,30,33H,13-16H2,1-3H3,(H,31,32);3,5-12,23-24,29H,4,13-16H2,1-2H3,(H,30,31);3-11,15,21,23,29,32H,12-14,16H2,1-2H3,(H,30,31);3-11,18,21,26H,12-13H2,1-2H3,(H,27,28);1-11,20,22,26H,12,14H2,(H,27,28);2-10,12,18,20,25H,11,13H2,1H3,(H,26,27)/t2*25?,26-;21?,24-;2*23?,24-;21?,23-;18?,21-;20?,22-;18?,20-/m111111111/s1.
What are the key properties of 5-[4-[[(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;4-[[(3S)-3-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile?
5-[4-[[(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;4-[[(3S)-3-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile has a molecular weight of 4892.48 g/mol, XLogP of 30.49, 69 rotatable bonds, 22 hydrogen bond donors, and 73 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;5-[4-[[(3S)-7-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2,6-thiadiazinan-3-one;4-[[(3S)-3-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile is sourced from PubChem (CID 157152826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).