4-[1,3,7,7-tetramethyl-5-(3-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-[1,3,7,7-tetramethyl-5-(3-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-[1,3,7,7-tetramethyl-5-(3-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: | D359-0836 |
| Compound Name: | 4-[1,3,7,7-tetramethyl-5-(3-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: | 454.53 |
| Molecular Formula: | C27 H26 N4 O3 |
| Smiles: | Cc1cccc(c1)c1c2C(N(C)C(N(C)c2c2C(c3ccc(C#N)cc3)OCC(C)(C)n12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.478 |
| logD: | 4.478 |
| logSw: | -4.5642 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.358 |
| InChI Key: | JWBFAVSPPNPJRJ-XMMPIXPASA-N |