4-[7,9-dimethyl-11-(4-methylphenyl)-8,10-dioxo-5,6,7,8,9,10-hexahydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxalin-6-yl]benzonitrile
Chemical Structure Depiction of
4-[7,9-dimethyl-11-(4-methylphenyl)-8,10-dioxo-5,6,7,8,9,10-hexahydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxalin-6-yl]benzonitrile
4-[7,9-dimethyl-11-(4-methylphenyl)-8,10-dioxo-5,6,7,8,9,10-hexahydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxalin-6-yl]benzonitrile
Compound characteristics
| Compound ID: | D359-0100 |
| Compound Name: | 4-[7,9-dimethyl-11-(4-methylphenyl)-8,10-dioxo-5,6,7,8,9,10-hexahydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxalin-6-yl]benzonitrile |
| Molecular Weight: | 473.53 |
| Molecular Formula: | C29 H23 N5 O2 |
| Smiles: | Cc1ccc(cc1)c1c2C(N(C)C(N(C)c2c2C(c3ccc(C#N)cc3)Nc3ccccc3n12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1113 |
| logD: | 5.1113 |
| logSw: | -5.1264 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.084 |
| InChI Key: | PEPRWCJBJTZDMO-XMMPIXPASA-N |