methyl 2-acetamido-3,3,3-trifluoro-N-(6-nitro-1,3-benzothiazol-2-yl)alaninate
Chemical Structure Depiction of
methyl 2-acetamido-3,3,3-trifluoro-N-(6-nitro-1,3-benzothiazol-2-yl)alaninate
methyl 2-acetamido-3,3,3-trifluoro-N-(6-nitro-1,3-benzothiazol-2-yl)alaninate
Compound characteristics
| Compound ID: | 8012-5886 |
| Compound Name: | methyl 2-acetamido-3,3,3-trifluoro-N-(6-nitro-1,3-benzothiazol-2-yl)alaninate |
| Molecular Weight: | 392.31 |
| Molecular Formula: | C13 H11 F3 N4 O5 S |
| Smiles: | CC(NC(C(=O)OC)(C(F)(F)F)Nc1nc2ccc(cc2s1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7636 |
| logD: | 2.6074 |
| logSw: | -3.338 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.014 |
| InChI Key: | SNELLIBMYLTTDE-GFCCVEGCSA-N |