3-[1,3-dimethyl-5-(3-nitrophenyl)-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-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzonitrile
3-[1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzonitrile
Compound characteristics
| Compound ID: | D077-0408 |
| Compound Name: | 3-[1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzonitrile |
| Molecular Weight: | 401.38 |
| Molecular Formula: | C21 H15 N5 O4 |
| Smiles: | CN1C(c2c(cn(c3cccc(C#N)c3)c2c2cccc(c2)[N+]([O-])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2051 |
| logD: | 3.2051 |
| logSw: | -3.5099 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.225 |
| InChI Key: | WUZHPVOPWVWUNW-UHFFFAOYSA-N |