(1S)-1-[7-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(3-ethyl-1-methylindazol-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2H-isoquinolin-1-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2-methylisoquinolin-1-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,6-naphthyridin-5-one

C165H151Cl5N14O15S5 — CID 158752109

IUPAC(1S)-1-[7-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(3-ethyl-1-methylindazol-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2H-isoquinolin-1-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2-methylisoquinolin-1-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,6-naphthyridin-5-one
SMILESCC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(c3)OCCO4)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4ccc5cc[nH]c(=O)c5c4)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4ccc5ccn(C)c(=O)c5c4)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-n4ccc5ncccc5c4=O)c3)sc2c1-c1ccc(Cl)cc1.CCc1nn(C)c2cc(-c3nc4cc(C)c([C@H](OC(C)(C)C)C(C)=O)c(-c5ccc(Cl)cc5)c4s3)ccc12
InChIInChI=1S/C36H32ClN3O3S.C35H30ClN3O3S.C34H29ClN4O3S.C31H32ClN3O2S.C29H28ClNO4S/c1-20-17-29-33(31(23-9-11-26(37)12-10-23)30(20)32(21(2)41)43-36(3,4)5)44-34(39-29)25-13-15-38-28(19-25)24-8-7-22-14-16-40(6)35(42)27(22)18-24;1-19-16-28-32(30(22-8-10-25(36)11-9-22)29(19)31(20(2)40)42-35(3,4)5)43-34(39-28)24-13-14-37-27(18-24)23-7-6-21-12-15-38-33(41)26(21)17-23;1-19-17-26-31(29(21-8-10-23(35)11-9-21)28(19)30(20(2)40)42-34(3,4)5)43-32(38-26)22-12-15-37-27(18-22)39-16-13-25-24(33(39)41)7-6-14-36-25;1-8-23-22-14-11-20(16-25(22)35(7)34-23)30-33-24-15-17(2)26(28(18(3)36)37-31(4,5)6)27(29(24)38-30)19-9-12-21(32)13-10-19;1-16-14-21-27(36-28(31-21)19-8-11-22-23(15-19)34-13-12-33-22)25(18-6-9-20(30)10-7-18)24(16)26(17(2)32)35-29(3,4)5/h7-19,32H,1-6H3;6-18,31H,1-5H3,(H,38,41);6-18,30H,1-5H3;9-16,28H,8H2,1-7H3;6-11,14-15,26H,12-13H2,1-5H3/t32-;31-;30-;28-;26-/m11111/s1
InChIKeyINPMUDYOLYYLNG-HXHVXOHISA-N
MW2907.71 g/mol
LogP42.32
Rot. Bonds29

About (1S)-1-[7-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(3-ethyl-1-methylindazol-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2H-isoquinolin-1-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2-methylisoquinolin-1-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,6-naphthyridin-5-one

(1S)-1-[7-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(3-ethyl-1-methylindazol-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2H-isoquinolin-1-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2-methylisoquinolin-1-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,6-naphthyridin-5-one (PubChem CID 158752109) has the molecular formula C165H151Cl5N14O15S5 and a molecular weight of 2907.71 g/mol. Its IUPAC name is (1S)-1-[7-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(3-ethyl-1-methylindazol-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2H-isoquinolin-1-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2-methylisoquinolin-1-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name(1S)-1-[7-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(3-ethyl-1-methylindazol-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2H-isoquinolin-1-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2-methylisoquinolin-1-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,6-naphthyridin-5-one
PubChem CID158752109
Molecular FormulaC165H151Cl5N14O15S5
Molecular Weight2907.71 g/mol
Exact Mass2902.85
IUPAC Name(1S)-1-[7-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(3-ethyl-1-methylindazol-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2H-isoquinolin-1-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2-methylisoquinolin-1-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,6-naphthyridin-5-one
SMILESCC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(c3)OCCO4)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4ccc5cc[nH]c(=O)c5c4)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4ccc5ccn(C)c(=O)c5c4)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-n4ccc5ncccc5c4=O)c3)sc2c1-c1ccc(Cl)cc1.CCc1nn(C)c2cc(-c3nc4cc(C)c([C@H](OC(C)(C)C)C(C)=O)c(-c5ccc(Cl)cc5)c4s3)ccc12
InChIInChI=1S/C36H32ClN3O3S.C35H30ClN3O3S.C34H29ClN4O3S.C31H32ClN3O2S.C29H28ClNO4S/c1-20-17-29-33(31(23-9-11-26(37)12-10-23)30(20)32(21(2)41)43-36(3,4)5)44-34(39-29)25-13-15-38-28(19-25)24-8-7-22-14-16-40(6)35(42)27(22)18-24;1-19-16-28-32(30(22-8-10-25(36)11-9-22)29(19)31(20(2)40)42-35(3,4)5)43-34(39-28)24-13-14-37-27(18-24)23-7-6-21-12-15-38-33(41)26(21)17-23;1-19-17-26-31(29(21-8-10-23(35)11-9-21)28(19)30(20(2)40)42-34(3,4)5)43-32(38-26)22-12-15-37-27(18-22)39-16-13-25-24(33(39)41)7-6-14-36-25;1-8-23-22-14-11-20(16-25(22)35(7)34-23)30-33-24-15-17(2)26(28(18(3)36)37-31(4,5)6)27(29(24)38-30)19-9-12-21(32)13-10-19;1-16-14-21-27(36-28(31-21)19-8-11-22-23(15-19)34-13-12-33-22)25(18-6-9-20(30)10-7-18)24(16)26(17(2)32)35-29(3,4)5/h7-19,32H,1-6H3;6-18,31H,1-5H3,(H,38,41);6-18,30H,1-5H3;9-16,28H,8H2,1-7H3;6-11,14-15,26H,12-13H2,1-5H3/t32-;31-;30-;28-;26-/m11111/s1
InChIKeyINPMUDYOLYYLNG-HXHVXOHISA-N
XLogP42.32
TPSA360.65 Ų
H-Bond Donors1
H-Bond Acceptors33
Rotatable Bonds29
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002907.71
LogP ≤ 542.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1033

Analyze (1S)-1-[7-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(3-ethyl-1-methylindazol-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2H-isoquinolin-1-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2-methylisoquinolin-1-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,6-naphthyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[7-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(3-ethyl-1-methylindazol-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2H-isoquinolin-1-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2-methylisoquinolin-1-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,6-naphthyridin-5-one?
The IUPAC name of (1S)-1-[7-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(3-ethyl-1-methylindazol-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2H-isoquinolin-1-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2-methylisoquinolin-1-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,6-naphthyridin-5-one (CID 158752109) is (1S)-1-[7-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(3-ethyl-1-methylindazol-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2H-isoquinolin-1-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2-methylisoquinolin-1-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,6-naphthyridin-5-one.
What is the SMILES notation for (1S)-1-[7-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(3-ethyl-1-methylindazol-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2H-isoquinolin-1-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2-methylisoquinolin-1-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,6-naphthyridin-5-one?
The canonical SMILES for (1S)-1-[7-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(3-ethyl-1-methylindazol-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2H-isoquinolin-1-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2-methylisoquinolin-1-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,6-naphthyridin-5-one is CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(c3)OCCO4)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4ccc5cc[nH]c(=O)c5c4)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4ccc5ccn(C)c(=O)c5c4)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-n4ccc5ncccc5c4=O)c3)sc2c1-c1ccc(Cl)cc1.CCc1nn(C)c2cc(-c3nc4cc(C)c([C@H](OC(C)(C)C)C(C)=O)c(-c5ccc(Cl)cc5)c4s3)ccc12.
What is the InChIKey of (1S)-1-[7-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(3-ethyl-1-methylindazol-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2H-isoquinolin-1-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2-methylisoquinolin-1-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,6-naphthyridin-5-one?
The InChIKey is INPMUDYOLYYLNG-HXHVXOHISA-N. The full InChI is InChI=1S/C36H32ClN3O3S.C35H30ClN3O3S.C34H29ClN4O3S.C31H32ClN3O2S.C29H28ClNO4S/c1-20-17-29-33(31(23-9-11-26(37)12-10-23)30(20)32(21(2)41)43-36(3,4)5)44-34(39-29)25-13-15-38-28(19-25)24-8-7-22-14-16-40(6)35(42)27(22)18-24;1-19-16-28-32(30(22-8-10-25(36)11-9-22)29(19)31(20(2)40)42-35(3,4)5)43-34(39-28)24-13-14-37-27(18-24)23-7-6-21-12-15-38-33(41)26(21)17-23;1-19-17-26-31(29(21-8-10-23(35)11-9-21)28(19)30(20(2)40)42-34(3,4)5)43-32(38-26)22-12-15-37-27(18-22)39-16-13-25-24(33(39)41)7-6-14-36-25;1-8-23-22-14-11-20(16-25(22)35(7)34-23)30-33-24-15-17(2)26(28(18(3)36)37-31(4,5)6)27(29(24)38-30)19-9-12-21(32)13-10-19;1-16-14-21-27(36-28(31-21)19-8-11-22-23(15-19)34-13-12-33-22)25(18-6-9-20(30)10-7-18)24(16)26(17(2)32)35-29(3,4)5/h7-19,32H,1-6H3;6-18,31H,1-5H3,(H,38,41);6-18,30H,1-5H3;9-16,28H,8H2,1-7H3;6-11,14-15,26H,12-13H2,1-5H3/t32-;31-;30-;28-;26-/m11111/s1.
What are the key properties of (1S)-1-[7-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(3-ethyl-1-methylindazol-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2H-isoquinolin-1-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2-methylisoquinolin-1-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,6-naphthyridin-5-one?
(1S)-1-[7-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(3-ethyl-1-methylindazol-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2H-isoquinolin-1-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2-methylisoquinolin-1-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,6-naphthyridin-5-one has a molecular weight of 2907.71 g/mol, XLogP of 42.32, 29 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[7-(4-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(3-ethyl-1-methylindazol-6-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2H-isoquinolin-1-one;7-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-2-methylisoquinolin-1-one;6-[4-[7-(4-chlorophenyl)-5-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1,3-benzothiazol-2-yl]-2-pyridinyl]-1,6-naphthyridin-5-one is sourced from PubChem (CID 158752109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).