1-[(4-fluorophenyl)methyl]-7-[(4-nitrophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(4-fluorophenyl)methyl]-7-[(4-nitrophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
1-[(4-fluorophenyl)methyl]-7-[(4-nitrophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V029-7610 |
| Compound Name: | 1-[(4-fluorophenyl)methyl]-7-[(4-nitrophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 513.53 |
| Molecular Formula: | C28 H24 F N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)N1C(N(Cc2ccc(cc2)F)C(c2c1ncn2Cc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2457 |
| logD: | 5.2457 |
| logSw: | -5.0755 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.656 |
| InChI Key: | XTJJPIIZBHUHMQ-UHFFFAOYSA-N |