3-(4-chlorophenyl)-1-[(furan-2-yl)methyl]-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-1-[(furan-2-yl)methyl]-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
3-(4-chlorophenyl)-1-[(furan-2-yl)methyl]-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V029-7573 |
| Compound Name: | 3-(4-chlorophenyl)-1-[(furan-2-yl)methyl]-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 500.86 |
| Molecular Formula: | C24 H16 Cl F3 N4 O3 |
| Salt: | not_available |
| Smiles: | C(c1ccco1)N1C(c2c(ncn2Cc2ccc(cc2)C(F)(F)F)N(C1=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6737 |
| logD: | 4.6737 |
| logSw: | -5.059 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.023 |
| InChI Key: | YKOHAHLUCBYHKE-UHFFFAOYSA-N |