3-(3-chlorophenyl)-1-(propan-2-yl)-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(3-chlorophenyl)-1-(propan-2-yl)-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
3-(3-chlorophenyl)-1-(propan-2-yl)-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V025-9265 |
| Compound Name: | 3-(3-chlorophenyl)-1-(propan-2-yl)-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 462.86 |
| Molecular Formula: | C22 H18 Cl F3 N4 O2 |
| Salt: | not_available |
| Smiles: | CC(C)N1C(c2c(ncn2Cc2ccc(cc2)C(F)(F)F)N(C1=O)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5501 |
| logD: | 4.5501 |
| logSw: | -4.6708 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.267 |
| InChI Key: | CSEFURWKVWTKSU-UHFFFAOYSA-N |