N-[2-(4-chlorophenyl)ethyl]-2-({[(2-methylphenyl)methyl]sulfanyl}methyl)-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-2-({[(2-methylphenyl)methyl]sulfanyl}methyl)-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
N-[2-(4-chlorophenyl)ethyl]-2-({[(2-methylphenyl)methyl]sulfanyl}methyl)-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
Compound characteristics
| Compound ID: | K781-9865 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-2-({[(2-methylphenyl)methyl]sulfanyl}methyl)-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide |
| Molecular Weight: | 480.03 |
| Molecular Formula: | C26 H26 Cl N3 O2 S |
| Smiles: | Cc1ccccc1CSCC1C(Nc2cc(ccc2N1)C(NCCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4353 |
| logD: | 5.4349 |
| logSw: | -5.9883 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.353 |
| InChI Key: | YLWMTRZXGSMPRB-XMMPIXPASA-N |