3-(4-chlorophenyl)-1-ethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-1-ethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
3-(4-chlorophenyl)-1-ethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-9999 |
| Compound Name: | 3-(4-chlorophenyl)-1-ethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 448.83 |
| Molecular Formula: | C21 H16 Cl F3 N4 O2 |
| Salt: | not_available |
| Smiles: | CCN1C(c2c(ncn2Cc2cccc(c2)C(F)(F)F)N(C1=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0313 |
| logD: | 4.0313 |
| logSw: | -4.4062 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.271 |
| InChI Key: | MVBUCYNWCLJIJA-UHFFFAOYSA-N |