3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
Compound characteristics
| Compound ID: | 2738-0345 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide |
| Molecular Weight: | 507.54 |
| Molecular Formula: | C26 H22 F N3 O5 S |
| Smiles: | COc1ccc(cc1)/N=C1/N(Cc2ccc3c(c2)OCO3)C(CC(C(Nc2ccc(cc2)F)=O)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.601 |
| logD: | 4.5992 |
| logSw: | -4.3927 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.798 |
| InChI Key: | VPBYLJYPBBLPFK-QHCPKHFHSA-N |