3-(4-chlorophenyl)-7-[(3-fluorophenyl)methyl]-1-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-7-[(3-fluorophenyl)methyl]-1-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
3-(4-chlorophenyl)-7-[(3-fluorophenyl)methyl]-1-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V022-9042 |
| Compound Name: | 3-(4-chlorophenyl)-7-[(3-fluorophenyl)methyl]-1-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 426.88 |
| Molecular Formula: | C22 H20 Cl F N4 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CN1C(c2c(ncn2Cc2cccc(c2)F)N(C1=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3071 |
| logD: | 4.3071 |
| logSw: | -4.565 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.546 |
| InChI Key: | XYDGHTBVKXOOMQ-UHFFFAOYSA-N |