methyl N-(2,4-dichlorobenzoyl)-3,3,3-trifluoro-2-{[6-(propan-2-yl)-1,3-benzothiazol-2-yl]amino}alaninate
Chemical Structure Depiction of
methyl N-(2,4-dichlorobenzoyl)-3,3,3-trifluoro-2-{[6-(propan-2-yl)-1,3-benzothiazol-2-yl]amino}alaninate
methyl N-(2,4-dichlorobenzoyl)-3,3,3-trifluoro-2-{[6-(propan-2-yl)-1,3-benzothiazol-2-yl]amino}alaninate
Compound characteristics
| Compound ID: | 8013-7198 |
| Compound Name: | methyl N-(2,4-dichlorobenzoyl)-3,3,3-trifluoro-2-{[6-(propan-2-yl)-1,3-benzothiazol-2-yl]amino}alaninate |
| Molecular Weight: | 520.36 |
| Molecular Formula: | C21 H18 Cl2 F3 N3 O3 S |
| Smiles: | CC(C)c1ccc2c(c1)sc(NC(C(=O)OC)(C(F)(F)F)NC(c1ccc(cc1[Cl])[Cl])=O)n2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0111 |
| logD: | 3.7346 |
| logSw: | -6.593 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.462 |
| InChI Key: | UZAPHNNWVBVROL-HXUWFJFHSA-N |