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-thiazolidin-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-thiazolidin-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-thiazolidin-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-thiazolidin-3-one;4-[[(3S)-3-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile

C126H118N10O36S5 — CID 158031990

IUPAC5-[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-thiazolidin-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-thiazolidin-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-thiazolidin-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-thiazolidin-3-one;4-[[(3S)-3-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile
SMILESCC(C)(O)CCOc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)cn1.COc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)c(C)n1.COc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)cn1.Cc1nc(OCCC(C)(C)O)ccc1Oc1cccc2c1OC[C@H]2Oc1ccc(C2CC(=O)NS2(=O)=O)cc1.N#Cc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)cc1
InChIInChI=1S/C28H30N2O8S.C27H28N2O8S.C24H22N2O7S.C24H18N2O6S.C23H20N2O7S/c1-17-21(11-12-26(29-17)35-14-13-28(2,3)32)38-22-6-4-5-20-23(16-36-27(20)22)37-19-9-7-18(8-10-19)24-15-25(31)30-39(24,33)34;1-27(2,31)12-13-34-25-11-10-19(15-28-25)37-21-5-3-4-20-22(16-35-26(20)21)36-18-8-6-17(7-9-18)23-14-24(30)29-38(23,32)33;1-14-18(10-11-23(25-14)30-2)33-19-5-3-4-17-20(13-31-24(17)19)32-16-8-6-15(7-9-16)21-12-22(27)26-34(21,28)29;25-13-15-4-8-17(9-5-15)31-20-3-1-2-19-21(14-30-24(19)20)32-18-10-6-16(7-11-18)22-12-23(27)26-33(22,28)29;1-29-22-10-9-16(12-24-22)32-18-4-2-3-17-19(13-30-23(17)18)31-15-7-5-14(6-8-15)20-11-21(26)25-33(20,27)28/h4-12,23-24,32H,13-16H2,1-3H3,(H,30,31);3-11,15,22-23,31H,12-14,16H2,1-2H3,(H,29,30);3-11,20-21H,12-13H2,1-2H3,(H,26,27);1-11,21-22H,12,14H2,(H,26,27);2-10,12,19-20H,11,13H2,1H3,(H,25,26)/t23-,24?;22-,23?;20-,21?;21-,22?;19-,20?/m11111/s1
InChIKeyFHHFRCLVEWZGIZ-APESVNTESA-N
MW2508.70 g/mol
LogP18.58
Rot. Bonds35

About 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-thiazolidin-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-thiazolidin-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-thiazolidin-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-thiazolidin-3-one;4-[[(3S)-3-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile

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-thiazolidin-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-thiazolidin-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-thiazolidin-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-thiazolidin-3-one;4-[[(3S)-3-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile (PubChem CID 158031990) has the molecular formula C126H118N10O36S5 and a molecular weight of 2508.70 g/mol. Its IUPAC name is 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-thiazolidin-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-thiazolidin-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-thiazolidin-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-thiazolidin-3-one;4-[[(3S)-3-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile.

Molecular Properties

Compound Name5-[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-thiazolidin-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-thiazolidin-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-thiazolidin-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-thiazolidin-3-one;4-[[(3S)-3-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile
PubChem CID158031990
Molecular FormulaC126H118N10O36S5
Molecular Weight2508.70 g/mol
Exact Mass2506.63
IUPAC Name5-[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-thiazolidin-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-thiazolidin-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-thiazolidin-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-thiazolidin-3-one;4-[[(3S)-3-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile
SMILESCC(C)(O)CCOc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)cn1.COc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)c(C)n1.COc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)cn1.Cc1nc(OCCC(C)(C)O)ccc1Oc1cccc2c1OC[C@H]2Oc1ccc(C2CC(=O)NS2(=O)=O)cc1.N#Cc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)cc1
InChIInChI=1S/C28H30N2O8S.C27H28N2O8S.C24H22N2O7S.C24H18N2O6S.C23H20N2O7S/c1-17-21(11-12-26(29-17)35-14-13-28(2,3)32)38-22-6-4-5-20-23(16-36-27(20)22)37-19-9-7-18(8-10-19)24-15-25(31)30-39(24,33)34;1-27(2,31)12-13-34-25-11-10-19(15-28-25)37-21-5-3-4-20-22(16-35-26(20)21)36-18-8-6-17(7-9-18)23-14-24(30)29-38(23,32)33;1-14-18(10-11-23(25-14)30-2)33-19-5-3-4-17-20(13-31-24(17)19)32-16-8-6-15(7-9-16)21-12-22(27)26-34(21,28)29;25-13-15-4-8-17(9-5-15)31-20-3-1-2-19-21(14-30-24(19)20)32-18-10-6-16(7-11-18)22-12-23(27)26-33(22,28)29;1-29-22-10-9-16(12-24-22)32-18-4-2-3-17-19(13-30-23(17)18)31-15-7-5-14(6-8-15)20-11-21(26)25-33(20,27)28/h4-12,23-24,32H,13-16H2,1-3H3,(H,30,31);3-11,15,22-23,31H,12-14,16H2,1-2H3,(H,29,30);3-11,20-21H,12-13H2,1-2H3,(H,26,27);1-11,21-22H,12,14H2,(H,26,27);2-10,12,19-20H,11,13H2,1H3,(H,25,26)/t23-,24?;22-,23?;20-,21?;21-,22?;19-,20?/m11111/s1
InChIKeyFHHFRCLVEWZGIZ-APESVNTESA-N
XLogP18.58
TPSA607.38 Ų
H-Bond Donors7
H-Bond Acceptors41
Rotatable Bonds35
Heavy Atoms177
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002508.70
LogP ≤ 518.58
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1041

Analyze 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-thiazolidin-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-thiazolidin-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-thiazolidin-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-thiazolidin-3-one;4-[[(3S)-3-[4-(1,1,3-trioxo-1,2-thiazolidin-5-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-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1-benzofuran-3-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-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-thiazolidin-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-thiazolidin-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-thiazolidin-3-one;4-[[(3S)-3-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile?
The IUPAC name of 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-thiazolidin-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-thiazolidin-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-thiazolidin-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-thiazolidin-3-one;4-[[(3S)-3-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile (CID 158031990) is 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-thiazolidin-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-thiazolidin-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-thiazolidin-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-thiazolidin-3-one;4-[[(3S)-3-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile.
What is the SMILES notation for 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-thiazolidin-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-thiazolidin-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-thiazolidin-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-thiazolidin-3-one;4-[[(3S)-3-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile?
The canonical SMILES for 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-thiazolidin-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-thiazolidin-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-thiazolidin-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-thiazolidin-3-one;4-[[(3S)-3-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile is CC(C)(O)CCOc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)cn1.COc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)c(C)n1.COc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)cn1.Cc1nc(OCCC(C)(C)O)ccc1Oc1cccc2c1OC[C@H]2Oc1ccc(C2CC(=O)NS2(=O)=O)cc1.N#Cc1ccc(Oc2cccc3c2OC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)cc1.
What is the InChIKey of 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-thiazolidin-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-thiazolidin-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-thiazolidin-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-thiazolidin-3-one;4-[[(3S)-3-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile?
The InChIKey is FHHFRCLVEWZGIZ-APESVNTESA-N. The full InChI is InChI=1S/C28H30N2O8S.C27H28N2O8S.C24H22N2O7S.C24H18N2O6S.C23H20N2O7S/c1-17-21(11-12-26(29-17)35-14-13-28(2,3)32)38-22-6-4-5-20-23(16-36-27(20)22)37-19-9-7-18(8-10-19)24-15-25(31)30-39(24,33)34;1-27(2,31)12-13-34-25-11-10-19(15-28-25)37-21-5-3-4-20-22(16-35-26(20)21)36-18-8-6-17(7-9-18)23-14-24(30)29-38(23,32)33;1-14-18(10-11-23(25-14)30-2)33-19-5-3-4-17-20(13-31-24(17)19)32-16-8-6-15(7-9-16)21-12-22(27)26-34(21,28)29;25-13-15-4-8-17(9-5-15)31-20-3-1-2-19-21(14-30-24(19)20)32-18-10-6-16(7-11-18)22-12-23(27)26-33(22,28)29;1-29-22-10-9-16(12-24-22)32-18-4-2-3-17-19(13-30-23(17)18)31-15-7-5-14(6-8-15)20-11-21(26)25-33(20,27)28/h4-12,23-24,32H,13-16H2,1-3H3,(H,30,31);3-11,15,22-23,31H,12-14,16H2,1-2H3,(H,29,30);3-11,20-21H,12-13H2,1-2H3,(H,26,27);1-11,21-22H,12,14H2,(H,26,27);2-10,12,19-20H,11,13H2,1H3,(H,25,26)/t23-,24?;22-,23?;20-,21?;21-,22?;19-,20?/m11111/s1.
What are the key properties of 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-thiazolidin-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-thiazolidin-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-thiazolidin-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-thiazolidin-3-one;4-[[(3S)-3-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile?
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-thiazolidin-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-thiazolidin-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-thiazolidin-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-thiazolidin-3-one;4-[[(3S)-3-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile has a molecular weight of 2508.70 g/mol, XLogP of 18.58, 35 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 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-thiazolidin-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-thiazolidin-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-thiazolidin-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-thiazolidin-3-one;4-[[(3S)-3-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]benzonitrile is sourced from PubChem (CID 158031990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).