3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V029-5372 |
| Compound Name: | 3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 505.89 |
| Molecular Formula: | C25 H17 Cl F N5 O4 |
| Salt: | not_available |
| Smiles: | C(c1ccc(cc1)F)N1C(c2c(ncn2Cc2ccc(cc2)[N+]([O-])=O)N(C1=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5022 |
| logD: | 4.5022 |
| logSw: | -4.8483 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.656 |
| InChI Key: | JKAXYFBXAMTHML-UHFFFAOYSA-N |