4-(1,3,7,7-tetramethyl-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-(1,3,7,7-tetramethyl-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-(1,3,7,7-tetramethyl-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: | D359-0667 |
| Compound Name: | 4-(1,3,7,7-tetramethyl-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: | 440.5 |
| Molecular Formula: | C26 H24 N4 O3 |
| Smiles: | CC1(C)COC(c2ccc(C#N)cc2)c2c3c(C(N(C)C(N3C)=O)=O)c(c3ccccc3)n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9154 |
| logD: | 3.9154 |
| logSw: | -4.2891 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.358 |
| InChI Key: | JIZVCFYPKXQOMG-HSZRJFAPSA-N |