3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-ethoxyphenyl)-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-ethoxyphenyl)-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-ethoxyphenyl)-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
Compound characteristics
| Compound ID: | 2738-0352 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(4-ethoxyphenyl)-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide |
| Molecular Weight: | 533.6 |
| Molecular Formula: | C28 H27 N3 O6 S |
| Smiles: | CCOc1ccc(cc1)NC(C1CC(N(Cc2ccc3c(c2)OCO3)/C(=N/c2ccc(cc2)OC)S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9409 |
| logD: | 4.9393 |
| logSw: | -4.5761 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.922 |
| InChI Key: | HLBCNQHPLIZXIE-VWLOTQADSA-N |