1-(3-methylbutyl)-7-[(4-nitrophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-(3-methylbutyl)-7-[(4-nitrophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
1-(3-methylbutyl)-7-[(4-nitrophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V029-5407 |
| Compound Name: | 1-(3-methylbutyl)-7-[(4-nitrophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 475.55 |
| Molecular Formula: | C26 H29 N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)CCN1C(c2c(ncn2Cc2ccc(cc2)[N+]([O-])=O)N(C1=O)c1ccc(cc1)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2483 |
| logD: | 5.2483 |
| logSw: | -5.0444 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.906 |
| InChI Key: | RYEFTCRVIVPDGF-UHFFFAOYSA-N |