2-[(3-chloro-4-methylphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxylic acid
Chemical Structure Depiction of
2-[(3-chloro-4-methylphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxylic acid
2-[(3-chloro-4-methylphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxylic acid
Compound characteristics
| Compound ID: | 4514-1722 |
| Compound Name: | 2-[(3-chloro-4-methylphenyl)imino]-3-methyl-4-oxo-1,3-thiazinane-6-carboxylic acid |
| Molecular Weight: | 312.77 |
| Molecular Formula: | C13 H13 Cl N2 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])/N=C1/N(C)C(CC(C(O)=O)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4479 |
| logD: | 0.0139 |
| logSw: | -2.7581 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.493 |
| InChI Key: | ZVWDSIJEPXZSTJ-JTQLQIEISA-N |