4-({2-[(2H-1,3-benzodioxol-5-yl)imino]-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid
Chemical Structure Depiction of
4-({2-[(2H-1,3-benzodioxol-5-yl)imino]-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid
4-({2-[(2H-1,3-benzodioxol-5-yl)imino]-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid
Compound characteristics
| Compound ID: | 4514-2023 |
| Compound Name: | 4-({2-[(2H-1,3-benzodioxol-5-yl)imino]-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid |
| Molecular Weight: | 441.46 |
| Molecular Formula: | C21 H19 N3 O6 S |
| Smiles: | CCN1/C(=N/c2ccc3c(c2)OCO3)SC(CC1=O)C(Nc1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4002 |
| logD: | 1.005 |
| logSw: | -3.7488 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.659 |
| InChI Key: | PPNJRDZFEICCFF-KRWDZBQOSA-N |