3-[1,3-dimethyl-5-(3-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzonitrile
Chemical Structure Depiction of
3-[1,3-dimethyl-5-(3-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzonitrile
3-[1,3-dimethyl-5-(3-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzonitrile
Compound characteristics
| Compound ID: | D077-0001 |
| Compound Name: | 3-[1,3-dimethyl-5-(3-methylphenyl)-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzonitrile |
| Molecular Weight: | 370.41 |
| Molecular Formula: | C22 H18 N4 O2 |
| Smiles: | Cc1cccc(c1)c1c2C(N(C)C(N(C)c2cn1c1cccc(C#N)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6303 |
| logD: | 3.6303 |
| logSw: | -3.9902 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.843 |
| InChI Key: | CYBKTPYCLISROB-UHFFFAOYSA-N |