1-[(2-fluorophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(2-fluorophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
1-[(2-fluorophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-4602 |
| Compound Name: | 1-[(2-fluorophenyl)methyl]-3-[4-(propan-2-yl)phenyl]-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 536.53 |
| Molecular Formula: | C29 H24 F4 N4 O2 |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(cc1)N1C(N(Cc2ccccc2F)C(c2c1ncn2Cc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1881 |
| logD: | 6.1881 |
| logSw: | -5.6927 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.275 |
| InChI Key: | LOHCKDUAAOCRJV-UHFFFAOYSA-N |