3-[5-(2-bromophenyl)-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-(2-bromophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzonitrile
3-[5-(2-bromophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzonitrile
Compound characteristics
| Compound ID: | D252-0127 |
| Compound Name: | 3-[5-(2-bromophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzonitrile |
| Molecular Weight: | 435.28 |
| Molecular Formula: | C21 H15 Br N4 O2 |
| Smiles: | CN1C(c2c(cn(c3cccc(C#N)c3)c2c2ccccc2[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5582 |
| logD: | 3.5582 |
| logSw: | -3.9825 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.843 |
| InChI Key: | LAUWEJZBHXEAGA-UHFFFAOYSA-N |