1-ethyl-7-[(4-nitrophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-ethyl-7-[(4-nitrophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
1-ethyl-7-[(4-nitrophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-0490 |
| Compound Name: | 1-ethyl-7-[(4-nitrophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 433.47 |
| Molecular Formula: | C23 H23 N5 O4 |
| Salt: | not_available |
| Smiles: | CCN1C(c2c(ncn2Cc2ccc(cc2)[N+]([O-])=O)N(C1=O)c1ccc(cc1)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9436 |
| logD: | 3.9436 |
| logSw: | -3.8558 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.652 |
| InChI Key: | PHLOJQGDUPTRNH-UHFFFAOYSA-N |