4-[2,7,9-trimethyl-11-(2-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-(2-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-(2-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: | D477-0106 |
| Compound Name: | 4-[2,7,9-trimethyl-11-(2-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: | Cc1ccc2c(c1)n1c(c3ccccc3C)c3C(N(C)C(N(C)c3c1C(c1ccc(C#N)cc1)O2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8183 |
| logD: | 5.8183 |
| logSw: | -5.5758 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.619 |
| InChI Key: | JZYMHQZRIJPNJF-MUUNZHRXSA-N |