(1S)-1-ethoxy-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one;(1S)-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]cyclohexa-2,4-dien-1-one;(1S)-1-[2-methyl-4-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-4-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)propan-2-one

C121H143N9O13S5 — CID 159677266

IUPAC(1S)-1-ethoxy-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one;(1S)-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]cyclohexa-2,4-dien-1-one;(1S)-1-[2-methyl-4-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-4-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)propan-2-one
SMILESCC(=O)[C@@H](OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1O)CCCC3.CC(=O)[C@@H](OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1ccnn1C)CCCC3.CC(=O)[C@@H](OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1cncnc1)CCCC3.CC(=O)[C@@H](OC(C)(C)C)c1c(C)nc2sc3c(c2c1C1=CC(=O)CC=C1)CCCC3.CCO[C@H](C(C)=O)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1O)CCCC3
InChIInChI=1S/C26H31NO3S.C25H29NO3S.C24H27NO3S.C23H29N3O2S.C23H27N3O2S/c1-14-11-12-17(19(29)13-14)22-21(24(16(3)28)30-26(4,5)6)15(2)27-25-23(22)18-9-7-8-10-20(18)31-25;1-14-20(23(15(2)27)29-25(3,4)5)21(16-9-8-10-17(28)13-16)22-18-11-6-7-12-19(18)30-24(22)26-14;1-5-28-23(15(4)26)20-14(3)25-24-22(17-8-6-7-9-19(17)29-24)21(20)16-11-10-13(2)12-18(16)27;1-13-18(21(14(2)27)28-23(3,4)5)20(16-11-12-24-26(16)6)19-15-9-7-8-10-17(15)29-22(19)25-13;1-13-18(21(14(2)27)28-23(3,4)5)19(15-10-24-12-25-11-15)20-16-8-6-7-9-17(16)29-22(20)26-13/h11-13,24,29H,7-10H2,1-6H3;8-9,13,23H,6-7,10-12H2,1-5H3;10-12,23,27H,5-9H2,1-4H3;11-12,21H,7-10H2,1-6H3;10-12,21H,6-9H2,1-5H3/t24-;2*23-;2*21-/m11111/s1
InChIKeyMUTJAAMKGSSWFQ-CWDLYOBSSA-N
MW2091.86 g/mol
LogP29.00
Rot. Bonds21

About (1S)-1-ethoxy-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one;(1S)-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]cyclohexa-2,4-dien-1-one;(1S)-1-[2-methyl-4-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-4-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)propan-2-one

(1S)-1-ethoxy-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one;(1S)-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]cyclohexa-2,4-dien-1-one;(1S)-1-[2-methyl-4-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-4-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)propan-2-one (PubChem CID 159677266) has the molecular formula C121H143N9O13S5 and a molecular weight of 2091.86 g/mol. Its IUPAC name is (1S)-1-ethoxy-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one;(1S)-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]cyclohexa-2,4-dien-1-one;(1S)-1-[2-methyl-4-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-4-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)propan-2-one.

Molecular Properties

Compound Name(1S)-1-ethoxy-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one;(1S)-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]cyclohexa-2,4-dien-1-one;(1S)-1-[2-methyl-4-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-4-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)propan-2-one
PubChem CID159677266
Molecular FormulaC121H143N9O13S5
Molecular Weight2091.86 g/mol
Exact Mass2089.94
IUPAC Name(1S)-1-ethoxy-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one;(1S)-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]cyclohexa-2,4-dien-1-one;(1S)-1-[2-methyl-4-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-4-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)propan-2-one
SMILESCC(=O)[C@@H](OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1O)CCCC3.CC(=O)[C@@H](OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1ccnn1C)CCCC3.CC(=O)[C@@H](OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1cncnc1)CCCC3.CC(=O)[C@@H](OC(C)(C)C)c1c(C)nc2sc3c(c2c1C1=CC(=O)CC=C1)CCCC3.CCO[C@H](C(C)=O)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1O)CCCC3
InChIInChI=1S/C26H31NO3S.C25H29NO3S.C24H27NO3S.C23H29N3O2S.C23H27N3O2S/c1-14-11-12-17(19(29)13-14)22-21(24(16(3)28)30-26(4,5)6)15(2)27-25-23(22)18-9-7-8-10-20(18)31-25;1-14-20(23(15(2)27)29-25(3,4)5)21(16-9-8-10-17(28)13-16)22-18-11-6-7-12-19(18)30-24(22)26-14;1-5-28-23(15(4)26)20-14(3)25-24-22(17-8-6-7-9-19(17)29-24)21(20)16-11-10-13(2)12-18(16)27;1-13-18(21(14(2)27)28-23(3,4)5)20(16-11-12-24-26(16)6)19-15-9-7-8-10-17(15)29-22(19)25-13;1-13-18(21(14(2)27)28-23(3,4)5)19(15-10-24-12-25-11-15)20-16-8-6-7-9-17(16)29-22(20)26-13/h11-13,24,29H,7-10H2,1-6H3;8-9,13,23H,6-7,10-12H2,1-5H3;10-12,23,27H,5-9H2,1-4H3;11-12,21H,7-10H2,1-6H3;10-12,21H,6-9H2,1-5H3/t24-;2*23-;2*21-/m11111/s1
InChIKeyMUTJAAMKGSSWFQ-CWDLYOBSSA-N
XLogP29.00
TPSA297.08 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002091.86
LogP ≤ 529.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Analyze (1S)-1-ethoxy-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one;(1S)-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]cyclohexa-2,4-dien-1-one;(1S)-1-[2-methyl-4-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-4-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-ethoxy-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one;(1S)-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]cyclohexa-2,4-dien-1-one;(1S)-1-[2-methyl-4-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-4-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)propan-2-one?
The IUPAC name of (1S)-1-ethoxy-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one;(1S)-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]cyclohexa-2,4-dien-1-one;(1S)-1-[2-methyl-4-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-4-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)propan-2-one (CID 159677266) is (1S)-1-ethoxy-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one;(1S)-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]cyclohexa-2,4-dien-1-one;(1S)-1-[2-methyl-4-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-4-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)propan-2-one.
What is the SMILES notation for (1S)-1-ethoxy-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one;(1S)-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]cyclohexa-2,4-dien-1-one;(1S)-1-[2-methyl-4-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-4-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)propan-2-one?
The canonical SMILES for (1S)-1-ethoxy-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one;(1S)-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]cyclohexa-2,4-dien-1-one;(1S)-1-[2-methyl-4-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-4-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)propan-2-one is CC(=O)[C@@H](OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1O)CCCC3.CC(=O)[C@@H](OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1ccnn1C)CCCC3.CC(=O)[C@@H](OC(C)(C)C)c1c(C)nc2sc3c(c2c1-c1cncnc1)CCCC3.CC(=O)[C@@H](OC(C)(C)C)c1c(C)nc2sc3c(c2c1C1=CC(=O)CC=C1)CCCC3.CCO[C@H](C(C)=O)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1O)CCCC3.
What is the InChIKey of (1S)-1-ethoxy-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one;(1S)-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]cyclohexa-2,4-dien-1-one;(1S)-1-[2-methyl-4-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-4-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)propan-2-one?
The InChIKey is MUTJAAMKGSSWFQ-CWDLYOBSSA-N. The full InChI is InChI=1S/C26H31NO3S.C25H29NO3S.C24H27NO3S.C23H29N3O2S.C23H27N3O2S/c1-14-11-12-17(19(29)13-14)22-21(24(16(3)28)30-26(4,5)6)15(2)27-25-23(22)18-9-7-8-10-20(18)31-25;1-14-20(23(15(2)27)29-25(3,4)5)21(16-9-8-10-17(28)13-16)22-18-11-6-7-12-19(18)30-24(22)26-14;1-5-28-23(15(4)26)20-14(3)25-24-22(17-8-6-7-9-19(17)29-24)21(20)16-11-10-13(2)12-18(16)27;1-13-18(21(14(2)27)28-23(3,4)5)20(16-11-12-24-26(16)6)19-15-9-7-8-10-17(15)29-22(19)25-13;1-13-18(21(14(2)27)28-23(3,4)5)19(15-10-24-12-25-11-15)20-16-8-6-7-9-17(16)29-22(20)26-13/h11-13,24,29H,7-10H2,1-6H3;8-9,13,23H,6-7,10-12H2,1-5H3;10-12,23,27H,5-9H2,1-4H3;11-12,21H,7-10H2,1-6H3;10-12,21H,6-9H2,1-5H3/t24-;2*23-;2*21-/m11111/s1.
What are the key properties of (1S)-1-ethoxy-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one;(1S)-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]cyclohexa-2,4-dien-1-one;(1S)-1-[2-methyl-4-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-4-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)propan-2-one?
(1S)-1-ethoxy-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one;(1S)-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]cyclohexa-2,4-dien-1-one;(1S)-1-[2-methyl-4-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-4-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)propan-2-one has a molecular weight of 2091.86 g/mol, XLogP of 29.00, 21 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-ethoxy-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]propan-2-one;(1S)-1-[4-(2-hydroxy-4-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;3-[2-methyl-3-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-4-yl]cyclohexa-2,4-dien-1-one;(1S)-1-[2-methyl-4-(2-methylpyrazol-3-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[(2-methylpropan-2-yl)oxy]-1-(2-methyl-4-pyrimidin-5-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl)propan-2-one is sourced from PubChem (CID 159677266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).