1,3-dimethyl-5-(3-nitrophenyl)-6-(2-phenylethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
1,3-dimethyl-5-(3-nitrophenyl)-6-(2-phenylethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
1,3-dimethyl-5-(3-nitrophenyl)-6-(2-phenylethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0404 |
| Compound Name: | 1,3-dimethyl-5-(3-nitrophenyl)-6-(2-phenylethyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C22 H20 N4 O4 |
| Smiles: | CN1C(c2c(cn(CCc3ccccc3)c2c2cccc(c2)[N+]([O-])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8034 |
| logD: | 3.8034 |
| logSw: | -4.0992 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.688 |
| InChI Key: | VPVWSLZRQLWYKZ-UHFFFAOYSA-N |