4-[(3-{[4-(2H-1,3-benzodioxol-5-yl)butan-2-ylidene]amino}-2-imino-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
4-[(3-{[4-(2H-1,3-benzodioxol-5-yl)butan-2-ylidene]amino}-2-imino-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid
4-[(3-{[4-(2H-1,3-benzodioxol-5-yl)butan-2-ylidene]amino}-2-imino-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | 8012-2667 |
| Compound Name: | 4-[(3-{[4-(2H-1,3-benzodioxol-5-yl)butan-2-ylidene]amino}-2-imino-4-oxo-1,3-thiazinane-6-carbonyl)amino]benzoic acid |
| Molecular Weight: | 482.51 |
| Molecular Formula: | C23 H22 N4 O6 S |
| Smiles: | C\C(CCc1ccc2c(c1)OCO2)=N/N1C(=N)SC(CC1=O)C(Nc1ccc(cc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1993 |
| logD: | 0.8041 |
| logSw: | -3.3535 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.345 |
| InChI Key: | PNLFLOKSOHGHHY-IBGZPJMESA-N |