methyl N-(6-chloro-1,3-benzothiazol-2-yl)-3,3,3-trifluoro-2-methoxyalaninate
Chemical Structure Depiction of
methyl N-(6-chloro-1,3-benzothiazol-2-yl)-3,3,3-trifluoro-2-methoxyalaninate
methyl N-(6-chloro-1,3-benzothiazol-2-yl)-3,3,3-trifluoro-2-methoxyalaninate
Compound characteristics
| Compound ID: | 8015-6413 |
| Compound Name: | methyl N-(6-chloro-1,3-benzothiazol-2-yl)-3,3,3-trifluoro-2-methoxyalaninate |
| Molecular Weight: | 354.73 |
| Molecular Formula: | C12 H10 Cl F3 N2 O3 S |
| Smiles: | COC(C(C(F)(F)F)(Nc1nc2ccc(cc2s1)[Cl])OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3459 |
| logD: | 4.3459 |
| logSw: | -4.5824 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.853 |
| InChI Key: | UTCJNODCSDNSLI-LLVKDONJSA-N |