methyl N-(2,4-dichlorobenzoyl)-3,3,3-trifluoro-2-{[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-benzothiazol-2-yl]amino}alaninate
Chemical Structure Depiction of
methyl N-(2,4-dichlorobenzoyl)-3,3,3-trifluoro-2-{[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-benzothiazol-2-yl]amino}alaninate
methyl N-(2,4-dichlorobenzoyl)-3,3,3-trifluoro-2-{[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-benzothiazol-2-yl]amino}alaninate
Compound characteristics
| Compound ID: | 8014-0266 |
| Compound Name: | methyl N-(2,4-dichlorobenzoyl)-3,3,3-trifluoro-2-{[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-benzothiazol-2-yl]amino}alaninate |
| Molecular Weight: | 644.3 |
| Molecular Formula: | C21 H12 Cl2 F9 N3 O4 S |
| Smiles: | COC(C(C(F)(F)F)(NC(c1ccc(cc1[Cl])[Cl])=O)Nc1nc2ccc(cc2s1)C(C(F)(F)F)(C(F)(F)F)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9227 |
| logD: | 3.6463 |
| logSw: | -6.1287 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.53 |
| InChI Key: | FWNHESCTZLKJBR-GOSISDBHSA-N |