1,3-dimethyl-5-(3-nitrophenyl)-6-[(oxolan-2-yl)methyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
1,3-dimethyl-5-(3-nitrophenyl)-6-[(oxolan-2-yl)methyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
1,3-dimethyl-5-(3-nitrophenyl)-6-[(oxolan-2-yl)methyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0386 |
| Compound Name: | 1,3-dimethyl-5-(3-nitrophenyl)-6-[(oxolan-2-yl)methyl]-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 384.39 |
| Molecular Formula: | C19 H20 N4 O5 |
| Smiles: | CN1C(c2c(cn(CC3CCCO3)c2c2cccc(c2)[N+]([O-])=O)N(C)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.06 |
| logD: | 2.06 |
| logSw: | -2.5259 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.364 |
| InChI Key: | CXKJYWUFDLPRDD-CQSZACIVSA-N |