1,3-dimethyl-5-(3-nitrophenyl)-6-propyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
1,3-dimethyl-5-(3-nitrophenyl)-6-propyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
1,3-dimethyl-5-(3-nitrophenyl)-6-propyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0349 |
| Compound Name: | 1,3-dimethyl-5-(3-nitrophenyl)-6-propyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 342.35 |
| Molecular Formula: | C17 H18 N4 O4 |
| Smiles: | CCCn1cc2c(C(N(C)C(N2C)=O)=O)c1c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7538 |
| logD: | 2.7538 |
| logSw: | -3.0014 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.96 |
| InChI Key: | USSFKCLDJLFNAO-UHFFFAOYSA-N |