4-(7,9-dimethyl-8,10-dioxo-11-phenyl-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-8,10-dioxo-11-phenyl-5,6,7,8,9,10-hexahydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxalin-6-yl)benzonitrile
4-(7,9-dimethyl-8,10-dioxo-11-phenyl-5,6,7,8,9,10-hexahydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxalin-6-yl)benzonitrile
Compound characteristics
| Compound ID: | D359-0051 |
| Compound Name: | 4-(7,9-dimethyl-8,10-dioxo-11-phenyl-5,6,7,8,9,10-hexahydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxalin-6-yl)benzonitrile |
| Molecular Weight: | 459.51 |
| Molecular Formula: | C28 H21 N5 O2 |
| Smiles: | CN1C(c2c(c3C(c4ccc(C#N)cc4)Nc4ccccc4n3c2c2ccccc2)N(C)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5828 |
| logD: | 4.5828 |
| logSw: | -4.591 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.084 |
| InChI Key: | PEYZEPPPISGRLR-HSZRJFAPSA-N |