1,3-dimethyl-5-(4-methylphenyl)-6-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
1,3-dimethyl-5-(4-methylphenyl)-6-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
1,3-dimethyl-5-(4-methylphenyl)-6-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | 6055-0117 |
| Compound Name: | 1,3-dimethyl-5-(4-methylphenyl)-6-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 390.4 |
| Molecular Formula: | C21 H18 N4 O4 |
| Smiles: | Cc1ccc(cc1)c1c2C(N(C)C(N(C)c2cn1c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7971 |
| logD: | 3.7971 |
| logSw: | -4.024 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.169 |
| InChI Key: | WHZHDBOCNTZDKG-UHFFFAOYSA-N |