4-[1,3-dimethyl-5-(4-methylphenyl)-2,4-dioxo-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-5-(4-methylphenyl)-2,4-dioxo-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-5-(4-methylphenyl)-2,4-dioxo-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: | D359-0685 |
| Compound Name: | 4-[1,3-dimethyl-5-(4-methylphenyl)-2,4-dioxo-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: | 426.47 |
| Molecular Formula: | C25 H22 N4 O3 |
| Smiles: | Cc1ccc(cc1)c1c2C(N(C)C(N(C)c2c2C(c3ccc(C#N)cc3)OCCn12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1317 |
| logD: | 4.1317 |
| logSw: | -4.2955 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.436 |
| InChI Key: | XAQNVCYWSXKTPL-HSZRJFAPSA-N |