3-(4-fluorophenyl)-7-[(3-nitrophenyl)methyl]-1-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(4-fluorophenyl)-7-[(3-nitrophenyl)methyl]-1-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
3-(4-fluorophenyl)-7-[(3-nitrophenyl)methyl]-1-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-6087 |
| Compound Name: | 3-(4-fluorophenyl)-7-[(3-nitrophenyl)methyl]-1-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 485.47 |
| Molecular Formula: | C26 H20 F N5 O4 |
| Salt: | not_available |
| Smiles: | C(CN1C(c2c(ncn2Cc2cccc(c2)[N+]([O-])=O)N(C1=O)c1ccc(cc1)F)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9981 |
| logD: | 3.9981 |
| logSw: | -4.2907 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.634 |
| InChI Key: | ONVMLGQQIQALHY-UHFFFAOYSA-N |