methyl 4-({2-[(3-chlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({2-[(3-chlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carbonyl}amino)benzoate
methyl 4-({2-[(3-chlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | 2739-0229 |
| Compound Name: | methyl 4-({2-[(3-chlorophenyl)imino]-4-oxo-3-(2-phenylethyl)-1,3-thiazinane-6-carbonyl}amino)benzoate |
| Molecular Weight: | 522.02 |
| Molecular Formula: | C27 H24 Cl N3 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(C1CC(N(CCc2ccccc2)/C(=N/c2cccc(c2)[Cl])S1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7276 |
| logD: | 5.7274 |
| logSw: | -5.8446 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.291 |
| InChI Key: | VIEXWILYSFGYGV-QHCPKHFHSA-N |