1-(cyclopropylmethyl)-3-(4-fluorophenyl)-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-(cyclopropylmethyl)-3-(4-fluorophenyl)-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
1-(cyclopropylmethyl)-3-(4-fluorophenyl)-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-1857 |
| Compound Name: | 1-(cyclopropylmethyl)-3-(4-fluorophenyl)-7-{[4-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 458.41 |
| Molecular Formula: | C23 H18 F4 N4 O2 |
| Salt: | not_available |
| Smiles: | C1CC1CN1C(c2c(ncn2Cc2ccc(cc2)C(F)(F)F)N(C1=O)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1058 |
| logD: | 4.1058 |
| logSw: | -4.3786 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.798 |
| InChI Key: | NQLLLFCFKDRMKN-UHFFFAOYSA-N |