methyl 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-N-(2,4-dichlorobenzoyl)-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
methyl 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-N-(2,4-dichlorobenzoyl)-3,3,3-trifluoroalaninate
methyl 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-N-(2,4-dichlorobenzoyl)-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 8013-7195 |
| Compound Name: | methyl 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-N-(2,4-dichlorobenzoyl)-3,3,3-trifluoroalaninate |
| Molecular Weight: | 557.17 |
| Molecular Formula: | C18 H11 Br Cl2 F3 N3 O3 S |
| Smiles: | COC(C(C(F)(F)F)(NC(c1ccc(cc1[Cl])[Cl])=O)Nc1nc2ccc(cc2s1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.424 |
| logD: | 3.1475 |
| logSw: | -6.3208 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.462 |
| InChI Key: | IMUKLKXDSKTNKB-QGZVFWFLSA-N |