6-butyl-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
6-butyl-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
6-butyl-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0350 |
| Compound Name: | 6-butyl-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 356.38 |
| Molecular Formula: | C18 H20 N4 O4 |
| Smiles: | CCCCn1cc2c(C(N(C)C(N2C)=O)=O)c1c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2595 |
| logD: | 3.2595 |
| logSw: | -3.5164 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.96 |
| InChI Key: | OHTJTBAZSRZEPM-UHFFFAOYSA-N |