3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-fluorophenyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-fluorophenyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-fluorophenyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide
Compound characteristics
| Compound ID: | 2738-0377 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-fluorophenyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide |
| Molecular Weight: | 545.51 |
| Molecular Formula: | C26 H19 F4 N3 O4 S |
| Smiles: | C1C(C(Nc2ccc(cc2)F)=O)SC(=N/c2cccc(c2)C(F)(F)F)\N(Cc2ccc3c(c2)OCO3)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6551 |
| logD: | 5.6538 |
| logSw: | -5.9869 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.254 |
| InChI Key: | LGBATHSBCCWLIL-QFIPXVFZSA-N |