methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-N-(2,4-dichlorobenzoyl)-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-N-(2,4-dichlorobenzoyl)-3,3,3-trifluoroalaninate
methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-N-(2,4-dichlorobenzoyl)-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 8013-7567 |
| Compound Name: | methyl 2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-N-(2,4-dichlorobenzoyl)-3,3,3-trifluoroalaninate |
| Molecular Weight: | 512.72 |
| Molecular Formula: | C18 H11 Cl3 F3 N3 O3 S |
| Smiles: | COC(C(C(F)(F)F)(NC(c1ccc(cc1[Cl])[Cl])=O)Nc1nc2ccc(cc2s1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3189 |
| logD: | 3.0424 |
| logSw: | -6.2909 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.462 |
| InChI Key: | YDQRJSCKAYXCDN-QGZVFWFLSA-N |