4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid
Chemical Structure Depiction of
4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid
4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid
Compound characteristics
| Compound ID: | 2738-0344 |
| Compound Name: | 4-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazinane-6-carbonyl}amino)benzoic acid |
| Molecular Weight: | 533.56 |
| Molecular Formula: | C27 H23 N3 O7 S |
| Smiles: | COc1ccc(cc1)/N=C1/N(Cc2ccc3c(c2)OCO3)C(CC(C(Nc2ccc(cc2)C(O)=O)=O)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4201 |
| logD: | 2.0249 |
| logSw: | -4.233 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.206 |
| InChI Key: | MSNDHQRQDXSKMJ-QHCPKHFHSA-N |