4-[7,9-dimethyl-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-[7,9-dimethyl-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-[7,9-dimethyl-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: | D477-0025 |
| Compound Name: | 4-[7,9-dimethyl-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: | 474.52 |
| Molecular Formula: | C29 H22 N4 O3 |
| Smiles: | Cc1ccccc1c1c2C(N(C)C(N(C)c2c2C(c3ccc(C#N)cc3)Oc3ccccc3n12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3608 |
| logD: | 5.3608 |
| logSw: | -5.4695 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.619 |
| InChI Key: | CLRCQGOPLBPGAZ-HHHXNRCGSA-N |