1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0346 |
| Compound Name: | 1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 300.27 |
| Molecular Formula: | C14 H12 N4 O4 |
| Smiles: | CN1C(c2c(c[nH]c2c2cccc(c2)[N+]([O-])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0704 |
| logD: | 2.0704 |
| logSw: | -2.8036 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.378 |
| InChI Key: | RFJZTXBFTSZXLK-UHFFFAOYSA-N |