N-{[4-(methylsulfanyl)phenyl]methyl}-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxalin-5-yl]acetamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxalin-5-yl]acetamide
N-{[4-(methylsulfanyl)phenyl]methyl}-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxalin-5-yl]acetamide
Compound characteristics
| Compound ID: | G673-0639 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-2-[6-oxo-3-(pyrrolidine-1-carbonyl)-6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxalin-5-yl]acetamide |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C27 H32 N4 O3 S |
| Smiles: | CSc1ccc(CNC(CN2C(C3CCCCN3c3ccc(cc23)C(N2CCCC2)=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8991 |
| logD: | 2.8991 |
| logSw: | -3.5072 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.278 |
| InChI Key: | PIYYPYZJNIPFOK-HSZRJFAPSA-N |