methyl 2-[(6-butoxy-1,3-benzothiazol-2-yl)amino]-N-(2,4-dichlorobenzoyl)-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
methyl 2-[(6-butoxy-1,3-benzothiazol-2-yl)amino]-N-(2,4-dichlorobenzoyl)-3,3,3-trifluoroalaninate
methyl 2-[(6-butoxy-1,3-benzothiazol-2-yl)amino]-N-(2,4-dichlorobenzoyl)-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 8013-7564 |
| Compound Name: | methyl 2-[(6-butoxy-1,3-benzothiazol-2-yl)amino]-N-(2,4-dichlorobenzoyl)-3,3,3-trifluoroalaninate |
| Molecular Weight: | 550.38 |
| Molecular Formula: | C22 H20 Cl2 F3 N3 O4 S |
| Smiles: | CCCCOc1ccc2c(c1)sc(NC(C(=O)OC)(C(F)(F)F)NC(c1ccc(cc1[Cl])[Cl])=O)n2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2048 |
| logD: | 3.9284 |
| logSw: | -6.5049 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.88 |
| InChI Key: | UNCMVNVLWVKTJA-OAQYLSRUSA-N |