(1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylbenzimidazol-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(2,7-dimethylindazol-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

C158H167Cl5N18O11S5 — CID 159233897

IUPAC(1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylbenzimidazol-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(2,7-dimethylindazol-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
SMILESCC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(c3)nc(C)n4C)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4cc(C)c5nn(C)cc5c4)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(N4CCN(C)CC4)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(N4CCOCC4)c3)sc2c1-c1ccc(Cl)cc1.CCN1CCN(c2cc(-c3nc4cc(C)c([C@H](OC(C)(C)C)C(C)=O)c(-c5ccc(Cl)cc5)c4s3)ccn2)CC1
InChIInChI=1S/C35H33ClN4O2S.C32H37ClN4O2S.C31H35ClN4O2S.C30H32ClN3O3S.C30H30ClN3O2S/c1-19-15-28-33(30(22-8-10-26(36)11-9-22)29(19)32(21(3)41)42-35(4,5)6)43-34(38-28)23-12-13-37-27(17-23)24-14-20(2)31-25(16-24)18-40(7)39-31;1-7-36-14-16-37(17-15-36)26-19-23(12-13-34-26)31-35-25-18-20(2)27(29(21(3)38)39-32(4,5)6)28(30(25)40-31)22-8-10-24(33)11-9-22;1-19-17-24-29(39-30(34-24)22-11-12-33-25(18-22)36-15-13-35(6)14-16-36)27(21-7-9-23(32)10-8-21)26(19)28(20(2)37)38-31(3,4)5;1-18-16-23-28(38-29(33-23)21-10-11-32-24(17-21)34-12-14-36-15-13-34)26(20-6-8-22(31)9-7-20)25(18)27(19(2)35)37-30(3,4)5;1-16-14-23-28(37-29(33-23)20-10-13-24-22(15-20)32-18(3)34(24)7)26(19-8-11-21(31)12-9-19)25(16)27(17(2)35)36-30(4,5)6/h8-18,32H,1-7H3;8-13,18-19,29H,7,14-17H2,1-6H3;7-12,17-18,28H,13-16H2,1-6H3;6-11,16-17,27H,12-15H2,1-5H3;8-15,27H,1-7H3/t32-;29-;28-;2*27-/m11111/s1
InChIKeyKTFROMGYSAZFFM-IQDHBNPHSA-N
MW2831.79 g/mol
LogP39.55
Rot. Bonds30

About (1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylbenzimidazol-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(2,7-dimethylindazol-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

(1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylbenzimidazol-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(2,7-dimethylindazol-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (PubChem CID 159233897) has the molecular formula C158H167Cl5N18O11S5 and a molecular weight of 2831.79 g/mol. Its IUPAC name is (1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylbenzimidazol-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(2,7-dimethylindazol-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.

Molecular Properties

Compound Name(1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylbenzimidazol-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(2,7-dimethylindazol-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
PubChem CID159233897
Molecular FormulaC158H167Cl5N18O11S5
Molecular Weight2831.79 g/mol
Exact Mass2827.01
IUPAC Name(1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylbenzimidazol-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(2,7-dimethylindazol-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
SMILESCC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(c3)nc(C)n4C)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4cc(C)c5nn(C)cc5c4)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(N4CCN(C)CC4)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(N4CCOCC4)c3)sc2c1-c1ccc(Cl)cc1.CCN1CCN(c2cc(-c3nc4cc(C)c([C@H](OC(C)(C)C)C(C)=O)c(-c5ccc(Cl)cc5)c4s3)ccn2)CC1
InChIInChI=1S/C35H33ClN4O2S.C32H37ClN4O2S.C31H35ClN4O2S.C30H32ClN3O3S.C30H30ClN3O2S/c1-19-15-28-33(30(22-8-10-26(36)11-9-22)29(19)32(21(3)41)42-35(4,5)6)43-34(38-28)23-12-13-37-27(17-23)24-14-20(2)31-25(16-24)18-40(7)39-31;1-7-36-14-16-37(17-15-36)26-19-23(12-13-34-26)31-35-25-18-20(2)27(29(21(3)38)39-32(4,5)6)28(30(25)40-31)22-8-10-24(33)11-9-22;1-19-17-24-29(39-30(34-24)22-11-12-33-25(18-22)36-15-13-35(6)14-16-36)27(21-7-9-23(32)10-8-21)26(19)28(20(2)37)38-31(3,4)5;1-18-16-23-28(38-29(33-23)21-10-11-32-24(17-21)34-12-14-36-15-13-34)26(20-6-8-22(31)9-7-20)25(18)27(19(2)35)37-30(3,4)5;1-16-14-23-28(37-29(33-23)20-10-13-24-22(15-20)32-18(3)34(24)7)26(19-8-11-21(31)12-9-19)25(16)27(17(2)35)36-30(4,5)6/h8-18,32H,1-7H3;8-13,18-19,29H,7,14-17H2,1-6H3;7-12,17-18,28H,13-16H2,1-6H3;6-11,16-17,27H,12-15H2,1-5H3;8-15,27H,1-7H3/t32-;29-;28-;2*27-/m11111/s1
InChIKeyKTFROMGYSAZFFM-IQDHBNPHSA-N
XLogP39.55
TPSA308.58 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds30
Heavy Atoms197
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002831.79
LogP ≤ 539.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze (1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylbenzimidazol-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(2,7-dimethylindazol-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylbenzimidazol-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(2,7-dimethylindazol-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
The IUPAC name of (1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylbenzimidazol-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(2,7-dimethylindazol-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (CID 159233897) is (1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylbenzimidazol-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(2,7-dimethylindazol-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.
What is the SMILES notation for (1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylbenzimidazol-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(2,7-dimethylindazol-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
The canonical SMILES for (1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylbenzimidazol-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(2,7-dimethylindazol-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(c3)nc(C)n4C)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4cc(C)c5nn(C)cc5c4)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(N4CCN(C)CC4)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(N4CCOCC4)c3)sc2c1-c1ccc(Cl)cc1.CCN1CCN(c2cc(-c3nc4cc(C)c([C@H](OC(C)(C)C)C(C)=O)c(-c5ccc(Cl)cc5)c4s3)ccn2)CC1.
What is the InChIKey of (1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylbenzimidazol-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(2,7-dimethylindazol-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
The InChIKey is KTFROMGYSAZFFM-IQDHBNPHSA-N. The full InChI is InChI=1S/C35H33ClN4O2S.C32H37ClN4O2S.C31H35ClN4O2S.C30H32ClN3O3S.C30H30ClN3O2S/c1-19-15-28-33(30(22-8-10-26(36)11-9-22)29(19)32(21(3)41)42-35(4,5)6)43-34(38-28)23-12-13-37-27(17-23)24-14-20(2)31-25(16-24)18-40(7)39-31;1-7-36-14-16-37(17-15-36)26-19-23(12-13-34-26)31-35-25-18-20(2)27(29(21(3)38)39-32(4,5)6)28(30(25)40-31)22-8-10-24(33)11-9-22;1-19-17-24-29(39-30(34-24)22-11-12-33-25(18-22)36-15-13-35(6)14-16-36)27(21-7-9-23(32)10-8-21)26(19)28(20(2)37)38-31(3,4)5;1-18-16-23-28(38-29(33-23)21-10-11-32-24(17-21)34-12-14-36-15-13-34)26(20-6-8-22(31)9-7-20)25(18)27(19(2)35)37-30(3,4)5;1-16-14-23-28(37-29(33-23)20-10-13-24-22(15-20)32-18(3)34(24)7)26(19-8-11-21(31)12-9-19)25(16)27(17(2)35)36-30(4,5)6/h8-18,32H,1-7H3;8-13,18-19,29H,7,14-17H2,1-6H3;7-12,17-18,28H,13-16H2,1-6H3;6-11,16-17,27H,12-15H2,1-5H3;8-15,27H,1-7H3/t32-;29-;28-;2*27-/m11111/s1.
What are the key properties of (1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylbenzimidazol-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(2,7-dimethylindazol-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
(1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylbenzimidazol-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(2,7-dimethylindazol-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one has a molecular weight of 2831.79 g/mol, XLogP of 39.55, 30 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[7-(4-chlorophenyl)-2-(1,2-dimethylbenzimidazol-5-yl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(2,7-dimethylindazol-5-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-5-methyl-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is sourced from PubChem (CID 159233897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).