1,3-dimethyl-6-(3-nitrophenyl)-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
1,3-dimethyl-6-(3-nitrophenyl)-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
1,3-dimethyl-6-(3-nitrophenyl)-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | 5537-0022 |
| Compound Name: | 1,3-dimethyl-6-(3-nitrophenyl)-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 376.37 |
| Molecular Formula: | C20 H16 N4 O4 |
| Smiles: | CN1C(c2c(cn(c3cccc(c3)[N+]([O-])=O)c2c2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2686 |
| logD: | 3.2686 |
| logSw: | -3.6646 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.169 |
| InChI Key: | RLJXTLZUNAYAJJ-UHFFFAOYSA-N |