3-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
3-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V022-4627 |
| Compound Name: | 3-(3-chlorophenyl)-1-[(4-fluorophenyl)methyl]-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 474.92 |
| Molecular Formula: | C26 H20 Cl F N4 O2 |
| Salt: | not_available |
| Smiles: | Cc1cccc(Cn2cnc3c2C(N(Cc2ccc(cc2)F)C(N3c2cccc(c2)[Cl])=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2679 |
| logD: | 5.2679 |
| logSw: | -5.6614 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.275 |
| InChI Key: | HWLGRXBAPHGZAO-UHFFFAOYSA-N |