3-[5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzonitrile
Chemical Structure Depiction of
3-[5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzonitrile
3-[5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzonitrile
Compound characteristics
| Compound ID: | D077-0041 |
| Compound Name: | 3-[5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzonitrile |
| Molecular Weight: | 386.41 |
| Molecular Formula: | C22 H18 N4 O3 |
| Smiles: | CN1C(c2c(cn(c3cccc(C#N)c3)c2c2ccc(cc2)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1551 |
| logD: | 3.1551 |
| logSw: | -3.3804 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.387 |
| InChI Key: | NGLDQEMYRZSKLU-UHFFFAOYSA-N |