3-(3-fluorophenyl)-1-(3-methylbutyl)-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(3-fluorophenyl)-1-(3-methylbutyl)-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
3-(3-fluorophenyl)-1-(3-methylbutyl)-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-6426 |
| Compound Name: | 3-(3-fluorophenyl)-1-(3-methylbutyl)-7-[(3-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 451.46 |
| Molecular Formula: | C23 H22 F N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)CCN1C(c2c(ncn2Cc2cccc(c2)[N+]([O-])=O)N(C1=O)c1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9221 |
| logD: | 3.9221 |
| logSw: | -3.8851 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.906 |
| InChI Key: | DUGXLFOYRCRCMV-UHFFFAOYSA-N |