4-[11-(4-methoxyphenyl)-7,9-dimethyl-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-[11-(4-methoxyphenyl)-7,9-dimethyl-8,10-dioxo-5,6,7,8,9,10-hexahydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxalin-6-yl]benzonitrile
4-[11-(4-methoxyphenyl)-7,9-dimethyl-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: | D359-0262 |
| Compound Name: | 4-[11-(4-methoxyphenyl)-7,9-dimethyl-8,10-dioxo-5,6,7,8,9,10-hexahydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxalin-6-yl]benzonitrile |
| Molecular Weight: | 489.53 |
| Molecular Formula: | C29 H23 N5 O3 |
| Smiles: | CN1C(c2c(c3C(c4ccc(C#N)cc4)Nc4ccccc4n3c2c2ccc(cc2)OC)N(C)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6703 |
| logD: | 4.6703 |
| logSw: | -4.5635 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.628 |
| InChI Key: | RKFCKABRNWFQEK-XMMPIXPASA-N |