4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[(7-methyl-2,3-dihydro-1-benzofuran-3-yl)oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidin-3-one;4-[[(1R)-1-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile

C151H145N11O27S6 — CID 159740690

IUPAC4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[(7-methyl-2,3-dihydro-1-benzofuran-3-yl)oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidin-3-one;4-[[(1R)-1-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile
SMILESCc1cc(OCCC(C)(C)O)nc(C)c1-c1cccc2c1CC[C@H]2Oc1ccc(C2CC(=O)NS2=O)cc1.Cc1cccc2c1OCC2Oc1ccc(C2CC(=O)NS2=O)cc1.Cc1nc(OCCC(C)(C)O)ccc1-c1cccc2c1CC[C@H]2Oc1ccc(C2CC(=O)NS2=O)cc1.N#Cc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)N3)cc2)cc1.N#Cc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS3=O)cc2)cc1.O=C1CC(c2ccc(O[C@@H]3CCc4c(Oc5ccccc5)cccc43)cc2)S(=O)N1
InChIInChI=1S/C30H34N2O5S.C29H32N2O5S.C25H21N3O5S.C25H20N2O4S.C24H21NO4S.C18H17NO4S/c1-18-16-28(36-15-14-30(3,4)34)31-19(2)29(18)24-7-5-6-23-22(24)12-13-25(23)37-21-10-8-20(9-11-21)26-17-27(33)32-38(26)35;1-18-21(12-14-28(30-18)35-16-15-29(2,3)33)22-5-4-6-24-23(22)11-13-25(24)36-20-9-7-19(8-10-20)26-17-27(32)31-37(26)34;26-15-16-4-8-18(9-5-16)32-23-3-1-2-20-21(23)12-13-24(20)33-19-10-6-17(7-11-19)22-14-25(29)28-34(30,31)27-22;26-15-16-4-8-18(9-5-16)30-22-3-1-2-20-21(22)12-13-23(20)31-19-10-6-17(7-11-19)24-14-25(28)27-32(24)29;26-24-15-23(30(27)25-24)16-9-11-18(12-10-16)29-22-14-13-20-19(22)7-4-8-21(20)28-17-5-2-1-3-6-17;1-11-3-2-4-14-15(10-22-18(11)14)23-13-7-5-12(6-8-13)16-9-17(20)19-24(16)21/h5-11,16,25-26,34H,12-15,17H2,1-4H3,(H,32,33);4-10,12,14,25-26,33H,11,13,15-17H2,1-3H3,(H,31,32);1-11,22,24,27H,12-14H2,(H,28,29);1-11,23-24H,12-14H2,(H,27,28);1-12,22-23H,13-15H2,(H,25,26);2-8,15-16H,9-10H2,1H3,(H,19,20)/t25-,26?,38?;25-,26?,37?;22?,24-;23-,24?,32?;22-,23?,30?;/m11111./s1
InChIKeyNCKMTVPXRJRXTL-CLWMACOHSA-N
MW2738.27 g/mol
LogP26.04
Rot. Bonds34

About 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[(7-methyl-2,3-dihydro-1-benzofuran-3-yl)oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidin-3-one;4-[[(1R)-1-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile

4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[(7-methyl-2,3-dihydro-1-benzofuran-3-yl)oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidin-3-one;4-[[(1R)-1-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile (PubChem CID 159740690) has the molecular formula C151H145N11O27S6 and a molecular weight of 2738.27 g/mol. Its IUPAC name is 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[(7-methyl-2,3-dihydro-1-benzofuran-3-yl)oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidin-3-one;4-[[(1R)-1-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile.

Molecular Properties

Compound Name4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[(7-methyl-2,3-dihydro-1-benzofuran-3-yl)oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidin-3-one;4-[[(1R)-1-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile
PubChem CID159740690
Molecular FormulaC151H145N11O27S6
Molecular Weight2738.27 g/mol
Exact Mass2735.86
IUPAC Name4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[(7-methyl-2,3-dihydro-1-benzofuran-3-yl)oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidin-3-one;4-[[(1R)-1-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile
SMILESCc1cc(OCCC(C)(C)O)nc(C)c1-c1cccc2c1CC[C@H]2Oc1ccc(C2CC(=O)NS2=O)cc1.Cc1cccc2c1OCC2Oc1ccc(C2CC(=O)NS2=O)cc1.Cc1nc(OCCC(C)(C)O)ccc1-c1cccc2c1CC[C@H]2Oc1ccc(C2CC(=O)NS2=O)cc1.N#Cc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)N3)cc2)cc1.N#Cc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS3=O)cc2)cc1.O=C1CC(c2ccc(O[C@@H]3CCc4c(Oc5ccccc5)cccc43)cc2)S(=O)N1
InChIInChI=1S/C30H34N2O5S.C29H32N2O5S.C25H21N3O5S.C25H20N2O4S.C24H21NO4S.C18H17NO4S/c1-18-16-28(36-15-14-30(3,4)34)31-19(2)29(18)24-7-5-6-23-22(24)12-13-25(23)37-21-10-8-20(9-11-21)26-17-27(33)32-38(26)35;1-18-21(12-14-28(30-18)35-16-15-29(2,3)33)22-5-4-6-24-23(22)11-13-25(24)36-20-9-7-19(8-10-20)26-17-27(32)31-37(26)34;26-15-16-4-8-18(9-5-16)32-23-3-1-2-20-21(23)12-13-24(20)33-19-10-6-17(7-11-19)22-14-25(29)28-34(30,31)27-22;26-15-16-4-8-18(9-5-16)30-22-3-1-2-20-21(22)12-13-23(20)31-19-10-6-17(7-11-19)24-14-25(28)27-32(24)29;26-24-15-23(30(27)25-24)16-9-11-18(12-10-16)29-22-14-13-20-19(22)7-4-8-21(20)28-17-5-2-1-3-6-17;1-11-3-2-4-14-15(10-22-18(11)14)23-13-7-5-12(6-8-13)16-9-17(20)19-24(16)21/h5-11,16,25-26,34H,12-15,17H2,1-4H3,(H,32,33);4-10,12,14,25-26,33H,11,13,15-17H2,1-3H3,(H,31,32);1-11,22,24,27H,12-14H2,(H,28,29);1-11,23-24H,12-14H2,(H,27,28);1-12,22-23H,13-15H2,(H,25,26);2-8,15-16H,9-10H2,1H3,(H,19,20)/t25-,26?,38?;25-,26?,37?;22?,24-;23-,24?,32?;22-,23?,30?;/m11111./s1
InChIKeyNCKMTVPXRJRXTL-CLWMACOHSA-N
XLogP26.04
TPSA530.70 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds34
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002738.27
LogP ≤ 526.04
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Analyze 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[(7-methyl-2,3-dihydro-1-benzofuran-3-yl)oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidin-3-one;4-[[(1R)-1-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[(7-methyl-2,3-dihydro-1-benzofuran-3-yl)oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidin-3-one;4-[[(1R)-1-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile?
The IUPAC name of 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[(7-methyl-2,3-dihydro-1-benzofuran-3-yl)oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidin-3-one;4-[[(1R)-1-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile (CID 159740690) is 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[(7-methyl-2,3-dihydro-1-benzofuran-3-yl)oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidin-3-one;4-[[(1R)-1-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile.
What is the SMILES notation for 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[(7-methyl-2,3-dihydro-1-benzofuran-3-yl)oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidin-3-one;4-[[(1R)-1-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile?
The canonical SMILES for 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[(7-methyl-2,3-dihydro-1-benzofuran-3-yl)oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidin-3-one;4-[[(1R)-1-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile is Cc1cc(OCCC(C)(C)O)nc(C)c1-c1cccc2c1CC[C@H]2Oc1ccc(C2CC(=O)NS2=O)cc1.Cc1cccc2c1OCC2Oc1ccc(C2CC(=O)NS2=O)cc1.Cc1nc(OCCC(C)(C)O)ccc1-c1cccc2c1CC[C@H]2Oc1ccc(C2CC(=O)NS2=O)cc1.N#Cc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS(=O)(=O)N3)cc2)cc1.N#Cc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS3=O)cc2)cc1.O=C1CC(c2ccc(O[C@@H]3CCc4c(Oc5ccccc5)cccc43)cc2)S(=O)N1.
What is the InChIKey of 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[(7-methyl-2,3-dihydro-1-benzofuran-3-yl)oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidin-3-one;4-[[(1R)-1-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile?
The InChIKey is NCKMTVPXRJRXTL-CLWMACOHSA-N. The full InChI is InChI=1S/C30H34N2O5S.C29H32N2O5S.C25H21N3O5S.C25H20N2O4S.C24H21NO4S.C18H17NO4S/c1-18-16-28(36-15-14-30(3,4)34)31-19(2)29(18)24-7-5-6-23-22(24)12-13-25(23)37-21-10-8-20(9-11-21)26-17-27(33)32-38(26)35;1-18-21(12-14-28(30-18)35-16-15-29(2,3)33)22-5-4-6-24-23(22)11-13-25(24)36-20-9-7-19(8-10-20)26-17-27(32)31-37(26)34;26-15-16-4-8-18(9-5-16)32-23-3-1-2-20-21(23)12-13-24(20)33-19-10-6-17(7-11-19)22-14-25(29)28-34(30,31)27-22;26-15-16-4-8-18(9-5-16)30-22-3-1-2-20-21(22)12-13-23(20)31-19-10-6-17(7-11-19)24-14-25(28)27-32(24)29;26-24-15-23(30(27)25-24)16-9-11-18(12-10-16)29-22-14-13-20-19(22)7-4-8-21(20)28-17-5-2-1-3-6-17;1-11-3-2-4-14-15(10-22-18(11)14)23-13-7-5-12(6-8-13)16-9-17(20)19-24(16)21/h5-11,16,25-26,34H,12-15,17H2,1-4H3,(H,32,33);4-10,12,14,25-26,33H,11,13,15-17H2,1-3H3,(H,31,32);1-11,22,24,27H,12-14H2,(H,28,29);1-11,23-24H,12-14H2,(H,27,28);1-12,22-23H,13-15H2,(H,25,26);2-8,15-16H,9-10H2,1H3,(H,19,20)/t25-,26?,38?;25-,26?,37?;22?,24-;23-,24?,32?;22-,23?,30?;/m11111./s1.
What are the key properties of 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[(7-methyl-2,3-dihydro-1-benzofuran-3-yl)oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidin-3-one;4-[[(1R)-1-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile?
4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[(7-methyl-2,3-dihydro-1-benzofuran-3-yl)oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidin-3-one;4-[[(1R)-1-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile has a molecular weight of 2738.27 g/mol, XLogP of 26.04, 34 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2,4-dimethyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;5-[4-[(7-methyl-2,3-dihydro-1-benzofuran-3-yl)oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one;1-oxo-5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidin-3-one;4-[[(1R)-1-[4-(1,1,5-trioxo-1,2,6-thiadiazinan-3-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzonitrile is sourced from PubChem (CID 159740690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).