methyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate
methyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | 2738-1113 |
| Compound Name: | methyl 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-ethoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoate |
| Molecular Weight: | 561.61 |
| Molecular Formula: | C29 H27 N3 O7 S |
| Smiles: | CCOc1ccc(cc1)/N=C1/N(Cc2ccc3c(c2)OCO3)C(CC(C(Nc2ccc(cc2)C(=O)OC)=O)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0492 |
| logD: | 5.0475 |
| logSw: | -4.6351 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.552 |
| InChI Key: | TXBJRMWWNFMCBG-VWLOTQADSA-N |