(1S)-1-[2-[2-(1-tert-butylpyrazol-4-yl)-4-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-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-(1-methylbenzotriazol-5-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-(1-methylimidazo[4,5-b]pyridin-6-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-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
C163H161Cl5N20O10S5 — CID 157470318
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC(1S)-1-[2-[2-(1-tert-butylpyrazol-4-yl)-4-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-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-(1-methylbenzotriazol-5-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-(1-methylimidazo[4,5-b]pyridin-6-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-methyl-1-propan-2-ylbenzimidazol-5-yl)-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(C)C)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(c3)nc(C)n4C3CC3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4ccc5c(c4)nnn5C)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4cnc5ncn(C)c5c4)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4cnn(C(C)(C)C)c4)c3)sc2c1-c1ccc(Cl)cc1
InChIInChI=1S/2C33H30ClN5O2S.C33H35ClN4O2S.C32H32ClN3O2S.C32H34ClN3O2S/c1-18-15-26-31(29(20-7-10-23(34)11-8-20)28(18)30(19(2)40)41-33(3,4)5)42-32(36-26)22-13-14-35-24(17-22)21-9-12-27-25(16-21)37-38-39(27)6;1-18-13-25-30(28(20-7-9-23(34)10-8-20)27(18)29(19(2)40)41-33(3,4)5)42-32(38-25)21-11-12-35-24(14-21)22-15-26-31(36-16-22)37-17-39(26)6;1-19-15-26-30(28(21-9-11-24(34)12-10-21)27(19)29(20(2)39)40-33(6,7)8)41-31(37-26)22-13-14-35-25(16-22)23-17-36-38(18-23)32(3,4)5;1-17-15-25-30(28(20-7-10-22(33)11-8-20)27(17)29(18(2)37)38-32(4,5)6)39-31(35-25)21-9-14-26-24(16-21)34-19(3)36(26)23-12-13-23;1-17(2)36-20(5)34-24-16-22(11-14-26(24)36)31-35-25-15-18(3)27(29(19(4)37)38-32(6,7)8)28(30(25)39-31)21-9-12-23(33)13-10-21/h7-17,30H,1-6H3;7-17,29H,1-6H3;9-18,29H,1-8H3;7-11,14-16,23,29H,12-13H2,1-6H3;9-17,29H,1-8H3/t30-;4*29-/m11111/s1
InChIKeyBUYMXKPHTXUWPB-RXAJGCLUSA-N
MW2897.81 g/mol
LogP44.12
Rot. Bonds30
About (1S)-1-[2-[2-(1-tert-butylpyrazol-4-yl)-4-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-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-(1-methylbenzotriazol-5-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-(1-methylimidazo[4,5-b]pyridin-6-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-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
(1S)-1-[2-[2-(1-tert-butylpyrazol-4-yl)-4-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-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-(1-methylbenzotriazol-5-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-(1-methylimidazo[4,5-b]pyridin-6-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-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (PubChem CID 157470318) has the molecular formula C163H161Cl5N20O10S5 and a molecular weight of 2897.81 g/mol. Its IUPAC name is (1S)-1-[2-[2-(1-tert-butylpyrazol-4-yl)-4-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-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-(1-methylbenzotriazol-5-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-(1-methylimidazo[4,5-b]pyridin-6-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-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.
Molecular Properties
| Compound Name | (1S)-1-[2-[2-(1-tert-butylpyrazol-4-yl)-4-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-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-(1-methylbenzotriazol-5-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-(1-methylimidazo[4,5-b]pyridin-6-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-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one |
|---|---|
| PubChem CID | 157470318 |
| Molecular Formula | C163H161Cl5N20O10S5 |
| Molecular Weight | 2897.81 g/mol |
| Exact Mass | 2892.98 |
| IUPAC Name | (1S)-1-[2-[2-(1-tert-butylpyrazol-4-yl)-4-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-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-(1-methylbenzotriazol-5-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-(1-methylimidazo[4,5-b]pyridin-6-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-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one |
| SMILES | CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(c3)nc(C)n4C(C)C)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(c3)nc(C)n4C3CC3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4ccc5c(c4)nnn5C)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4cnc5ncn(C)c5c4)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4cnn(C(C)(C)C)c4)c3)sc2c1-c1ccc(Cl)cc1 |
| InChI | InChI=1S/2C33H30ClN5O2S.C33H35ClN4O2S.C32H32ClN3O2S.C32H34ClN3O2S/c1-18-15-26-31(29(20-7-10-23(34)11-8-20)28(18)30(19(2)40)41-33(3,4)5)42-32(36-26)22-13-14-35-24(17-22)21-9-12-27-25(16-21)37-38-39(27)6;1-18-13-25-30(28(20-7-9-23(34)10-8-20)27(18)29(19(2)40)41-33(3,4)5)42-32(38-25)21-11-12-35-24(14-21)22-15-26-31(36-16-22)37-17-39(26)6;1-19-15-26-30(28(21-9-11-24(34)12-10-21)27(19)29(20(2)39)40-33(6,7)8)41-31(37-26)22-13-14-35-25(16-22)23-17-36-38(18-23)32(3,4)5;1-17-15-25-30(28(20-7-10-22(33)11-8-20)27(17)29(18(2)37)38-32(4,5)6)39-31(35-25)21-9-14-26-24(16-21)34-19(3)36(26)23-12-13-23;1-17(2)36-20(5)34-24-16-22(11-14-26(24)36)31-35-25-15-18(3)27(29(19(4)37)38-32(6,7)8)28(30(25)39-31)21-9-12-23(33)13-10-21/h7-17,30H,1-6H3;7-17,29H,1-6H3;9-18,29H,1-8H3;7-11,14-16,23,29H,12-13H2,1-6H3;9-17,29H,1-8H3/t30-;4*29-/m11111/s1 |
| InChIKey | BUYMXKPHTXUWPB-RXAJGCLUSA-N |
| XLogP | 44.12 |
| TPSA | 349.50 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 203 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2897.81 |
| LogP ≤ 5 | 44.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 35 |
Frequently Asked Questions
What is the IUPAC name of (1S)-1-[2-[2-(1-tert-butylpyrazol-4-yl)-4-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-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-(1-methylbenzotriazol-5-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-(1-methylimidazo[4,5-b]pyridin-6-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-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
The IUPAC name of (1S)-1-[2-[2-(1-tert-butylpyrazol-4-yl)-4-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-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-(1-methylbenzotriazol-5-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-(1-methylimidazo[4,5-b]pyridin-6-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-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (CID 157470318) is (1S)-1-[2-[2-(1-tert-butylpyrazol-4-yl)-4-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-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-(1-methylbenzotriazol-5-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-(1-methylimidazo[4,5-b]pyridin-6-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-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.
What is the SMILES notation for (1S)-1-[2-[2-(1-tert-butylpyrazol-4-yl)-4-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-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-(1-methylbenzotriazol-5-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-(1-methylimidazo[4,5-b]pyridin-6-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-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
The canonical SMILES for (1S)-1-[2-[2-(1-tert-butylpyrazol-4-yl)-4-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-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-(1-methylbenzotriazol-5-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-(1-methylimidazo[4,5-b]pyridin-6-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-methyl-1-propan-2-ylbenzimidazol-5-yl)-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(C)C)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccc4c(c3)nc(C)n4C3CC3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4ccc5c(c4)nnn5C)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4cnc5ncn(C)c5c4)c3)sc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(-c3ccnc(-c4cnn(C(C)(C)C)c4)c3)sc2c1-c1ccc(Cl)cc1.
What is the InChIKey of (1S)-1-[2-[2-(1-tert-butylpyrazol-4-yl)-4-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-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-(1-methylbenzotriazol-5-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-(1-methylimidazo[4,5-b]pyridin-6-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-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
The InChIKey is BUYMXKPHTXUWPB-RXAJGCLUSA-N. The full InChI is InChI=1S/2C33H30ClN5O2S.C33H35ClN4O2S.C32H32ClN3O2S.C32H34ClN3O2S/c1-18-15-26-31(29(20-7-10-23(34)11-8-20)28(18)30(19(2)40)41-33(3,4)5)42-32(36-26)22-13-14-35-24(17-22)21-9-12-27-25(16-21)37-38-39(27)6;1-18-13-25-30(28(20-7-9-23(34)10-8-20)27(18)29(19(2)40)41-33(3,4)5)42-32(38-25)21-11-12-35-24(14-21)22-15-26-31(36-16-22)37-17-39(26)6;1-19-15-26-30(28(21-9-11-24(34)12-10-21)27(19)29(20(2)39)40-33(6,7)8)41-31(37-26)22-13-14-35-25(16-22)23-17-36-38(18-23)32(3,4)5;1-17-15-25-30(28(20-7-10-22(33)11-8-20)27(17)29(18(2)37)38-32(4,5)6)39-31(35-25)21-9-14-26-24(16-21)34-19(3)36(26)23-12-13-23;1-17(2)36-20(5)34-24-16-22(11-14-26(24)36)31-35-25-15-18(3)27(29(19(4)37)38-32(6,7)8)28(30(25)39-31)21-9-12-23(33)13-10-21/h7-17,30H,1-6H3;7-17,29H,1-6H3;9-18,29H,1-8H3;7-11,14-16,23,29H,12-13H2,1-6H3;9-17,29H,1-8H3/t30-;4*29-/m11111/s1.
What are the key properties of (1S)-1-[2-[2-(1-tert-butylpyrazol-4-yl)-4-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-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-(1-methylbenzotriazol-5-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-(1-methylimidazo[4,5-b]pyridin-6-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-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?
(1S)-1-[2-[2-(1-tert-butylpyrazol-4-yl)-4-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-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-(1-methylbenzotriazol-5-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-(1-methylimidazo[4,5-b]pyridin-6-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-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one has a molecular weight of 2897.81 g/mol, XLogP of 44.12, 30 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[2-(1-tert-butylpyrazol-4-yl)-4-pyridinyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-(4-chlorophenyl)-2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-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-(1-methylbenzotriazol-5-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-(1-methylimidazo[4,5-b]pyridin-6-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-methyl-1-propan-2-ylbenzimidazol-5-yl)-1,3-benzothiazol-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is sourced from PubChem (CID 157470318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157470318 — identifiers, structure, computed properties (public domain)
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