3-(4-fluorophenyl)-1-(2-methylpropyl)-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(4-fluorophenyl)-1-(2-methylpropyl)-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
3-(4-fluorophenyl)-1-(2-methylpropyl)-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V030-2034 |
| Compound Name: | 3-(4-fluorophenyl)-1-(2-methylpropyl)-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 437.43 |
| Molecular Formula: | C22 H20 F N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(c2c(ncn2Cc2ccc(cc2)[N+]([O-])=O)N(C1=O)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5449 |
| logD: | 3.5449 |
| logSw: | -3.6351 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.928 |
| InChI Key: | IFOOBYGLSTYTII-UHFFFAOYSA-N |