methyl 3,3,3-trifluoro-2-methoxy-N-(5-nitro-1,3-benzothiazol-2-yl)alaninate
Chemical Structure Depiction of
methyl 3,3,3-trifluoro-2-methoxy-N-(5-nitro-1,3-benzothiazol-2-yl)alaninate
methyl 3,3,3-trifluoro-2-methoxy-N-(5-nitro-1,3-benzothiazol-2-yl)alaninate
Compound characteristics
| Compound ID: | 8015-8768 |
| Compound Name: | methyl 3,3,3-trifluoro-2-methoxy-N-(5-nitro-1,3-benzothiazol-2-yl)alaninate |
| Molecular Weight: | 365.28 |
| Molecular Formula: | C12 H10 F3 N3 O5 S |
| Smiles: | COC(C(C(F)(F)F)(Nc1nc2cc(ccc2s1)[N+]([O-])=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.72 |
| logD: | 3.72 |
| logSw: | -4.1089 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.235 |
| InChI Key: | HAZPIPPCZRNLJM-LLVKDONJSA-N |