methyl 3,3,3-trifluoro-N-(3-fluorobenzoyl)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]alaninate
Chemical Structure Depiction of
methyl 3,3,3-trifluoro-N-(3-fluorobenzoyl)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]alaninate
methyl 3,3,3-trifluoro-N-(3-fluorobenzoyl)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]alaninate
Compound characteristics
| Compound ID: | 8013-4619 |
| Compound Name: | methyl 3,3,3-trifluoro-N-(3-fluorobenzoyl)-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]alaninate |
| Molecular Weight: | 441.4 |
| Molecular Formula: | C19 H15 F4 N3 O3 S |
| Smiles: | Cc1cccc2c1nc(NC(C(=O)OC)(C(F)(F)F)NC(c1cccc(c1)F)=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.989 |
| logD: | 2.6911 |
| logSw: | -4.7988 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.232 |
| InChI Key: | SHWPMZAJZYYCCP-GOSISDBHSA-N |