7-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V029-5395 |
| Compound Name: | 7-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-1-[(4-methoxyphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 525.37 |
| Molecular Formula: | C26 H19 Cl2 F N4 O3 |
| Salt: | not_available |
| Smiles: | COc1ccc(CN2C(c3c(ncn3Cc3ccc(c(c3)[Cl])[Cl])N(C2=O)c2ccc(cc2)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2813 |
| logD: | 5.2813 |
| logSw: | -5.9241 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.818 |
| InChI Key: | PCKMVADGFLAGPE-UHFFFAOYSA-N |