7-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-1-[(furan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-1-[(furan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
7-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-1-[(furan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V029-2997 |
| Compound Name: | 7-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-1-[(furan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 485.3 |
| Molecular Formula: | C23 H15 Cl2 F N4 O3 |
| Salt: | not_available |
| Smiles: | C(c1ccco1)N1C(c2c(ncn2Cc2ccc(c(c2)[Cl])[Cl])N(C1=O)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5524 |
| logD: | 4.5524 |
| logSw: | -4.5121 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.023 |
| InChI Key: | PWJUYYZNYNSIFX-UHFFFAOYSA-N |