methyl 2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-N-(2,4-dichlorobenzoyl)-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
methyl 2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-N-(2,4-dichlorobenzoyl)-3,3,3-trifluoroalaninate
methyl 2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-N-(2,4-dichlorobenzoyl)-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 8013-8306 |
| Compound Name: | methyl 2-[(5-chloro-4-methyl-1,3-benzothiazol-2-yl)amino]-N-(2,4-dichlorobenzoyl)-3,3,3-trifluoroalaninate |
| Molecular Weight: | 526.75 |
| Molecular Formula: | C19 H13 Cl3 F3 N3 O3 S |
| Smiles: | Cc1c(ccc2c1nc(NC(C(=O)OC)(C(F)(F)F)NC(c1ccc(cc1[Cl])[Cl])=O)s2)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.582 |
| logD: | 3.3055 |
| logSw: | -6.3476 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.232 |
| InChI Key: | PPWIGKGDDWSYKO-GOSISDBHSA-N |