N-{[4-(methylsulfanyl)phenyl]methyl}-6-oxo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-6-oxo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide
N-{[4-(methylsulfanyl)phenyl]methyl}-6-oxo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide
Compound characteristics
| Compound ID: | G587-0275 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-6-oxo-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | CSc1ccc(CNC(c2ccc3c(c2)NC(C2CCCCN23)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4823 |
| logD: | 3.4817 |
| logSw: | -3.9196 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.98 |
| InChI Key: | CVDORRPRLJMYTF-LJQANCHMSA-N |