4-[2,7,9-trimethyl-11-(4-methylphenyl)-8,10-dioxo-7,8,9,10-tetrahydro-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazin-6-yl]benzonitrile
Chemical Structure Depiction of
4-[2,7,9-trimethyl-11-(4-methylphenyl)-8,10-dioxo-7,8,9,10-tetrahydro-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazin-6-yl]benzonitrile
4-[2,7,9-trimethyl-11-(4-methylphenyl)-8,10-dioxo-7,8,9,10-tetrahydro-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazin-6-yl]benzonitrile
Compound characteristics
| Compound ID: | D477-0348 |
| Compound Name: | 4-[2,7,9-trimethyl-11-(4-methylphenyl)-8,10-dioxo-7,8,9,10-tetrahydro-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazin-6-yl]benzonitrile |
| Molecular Weight: | 488.55 |
| Molecular Formula: | C30 H24 N4 O3 |
| Smiles: | Cc1ccc(cc1)c1c2C(N(C)C(N(C)c2c2C(c3ccc(C#N)cc3)Oc3ccc(C)cc3n12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.896 |
| logD: | 5.896 |
| logSw: | -5.5827 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.619 |
| InChI Key: | XYRSKDNDTQDUTQ-MUUNZHRXSA-N |