4-(1,3-dimethyl-2,4-dioxo-5-phenyl-1,3,4,7,8,10-hexahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazin-10-yl)benzonitrile
Chemical Structure Depiction of
4-(1,3-dimethyl-2,4-dioxo-5-phenyl-1,3,4,7,8,10-hexahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazin-10-yl)benzonitrile
4-(1,3-dimethyl-2,4-dioxo-5-phenyl-1,3,4,7,8,10-hexahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazin-10-yl)benzonitrile
Compound characteristics
| Compound ID: | D359-0647 |
| Compound Name: | 4-(1,3-dimethyl-2,4-dioxo-5-phenyl-1,3,4,7,8,10-hexahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazin-10-yl)benzonitrile |
| Molecular Weight: | 412.45 |
| Molecular Formula: | C24 H20 N4 O3 |
| Smiles: | CN1C(c2c(c3C(c4ccc(C#N)cc4)OCCn3c2c2ccccc2)N(C)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6032 |
| logD: | 3.6032 |
| logSw: | -3.7621 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.436 |
| InChI Key: | RGNGJVFOSYSNGE-JOCHJYFZSA-N |