methyl 3,3,3-trifluoro-N-(4-fluorobenzoyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]alaninate
Chemical Structure Depiction of
methyl 3,3,3-trifluoro-N-(4-fluorobenzoyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]alaninate
methyl 3,3,3-trifluoro-N-(4-fluorobenzoyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]alaninate
Compound characteristics
| Compound ID: | 8013-7208 |
| Compound Name: | methyl 3,3,3-trifluoro-N-(4-fluorobenzoyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]alaninate |
| Molecular Weight: | 472.37 |
| Molecular Formula: | C18 H12 F4 N4 O5 S |
| Smiles: | COC(C(C(F)(F)F)(NC(c1ccc(cc1)F)=O)Nc1nc2ccc(cc2s1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4437 |
| logD: | 2.105 |
| logSw: | -4.4636 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.844 |
| InChI Key: | BMYFLUKWOYNMQI-QGZVFWFLSA-N |