3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-ethoxyphenyl)imino]-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-ethoxyphenyl)imino]-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-ethoxyphenyl)imino]-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide
Compound characteristics
| Compound ID: | 2738-1106 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-ethoxyphenyl)imino]-N-(4-fluorophenyl)-4-oxo-1,3-thiazinane-6-carboxamide |
| Molecular Weight: | 521.57 |
| Molecular Formula: | C27 H24 F N3 O5 S |
| Smiles: | CCOc1ccc(cc1)/N=C1/N(Cc2ccc3c(c2)OCO3)C(CC(C(Nc2ccc(cc2)F)=O)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9876 |
| logD: | 4.9858 |
| logSw: | -4.558 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.378 |
| InChI Key: | WSBJNKYGJKOGTB-DEOSSOPVSA-N |