3-(1,3-dimethyl-2,4-dioxo-5-phenyl-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)benzonitrile
Chemical Structure Depiction of
3-(1,3-dimethyl-2,4-dioxo-5-phenyl-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)benzonitrile
3-(1,3-dimethyl-2,4-dioxo-5-phenyl-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)benzonitrile
Compound characteristics
| Compound ID: | D077-0008 |
| Compound Name: | 3-(1,3-dimethyl-2,4-dioxo-5-phenyl-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)benzonitrile |
| Molecular Weight: | 356.38 |
| Molecular Formula: | C21 H16 N4 O2 |
| Smiles: | CN1C(c2c(cn(c3cccc(C#N)c3)c2c2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0677 |
| logD: | 3.0677 |
| logSw: | -3.4004 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.843 |
| InChI Key: | USLKRMOFFWAEJT-UHFFFAOYSA-N |