3-(2-methylphenyl)-7-[(4-nitrophenyl)methyl]-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(2-methylphenyl)-7-[(4-nitrophenyl)methyl]-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
3-(2-methylphenyl)-7-[(4-nitrophenyl)methyl]-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-1170 |
| Compound Name: | 3-(2-methylphenyl)-7-[(4-nitrophenyl)methyl]-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 461.48 |
| Molecular Formula: | C24 H23 N5 O5 |
| Salt: | not_available |
| Smiles: | Cc1ccccc1N1C(N(CC2CCCO2)C(c2c1ncn2Cc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7474 |
| logD: | 2.7474 |
| logSw: | -2.9621 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.009 |
| InChI Key: | UDZIXYOFFYDROB-UHFFFAOYSA-N |