3-(2-chlorophenyl)-1-ethyl-7-[(4-fluorophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(2-chlorophenyl)-1-ethyl-7-[(4-fluorophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
3-(2-chlorophenyl)-1-ethyl-7-[(4-fluorophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V029-5791 |
| Compound Name: | 3-(2-chlorophenyl)-1-ethyl-7-[(4-fluorophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 398.82 |
| Molecular Formula: | C20 H16 Cl F N4 O2 |
| Smiles: | CCN1C(c2c(ncn2Cc2ccc(cc2)F)N(C1=O)c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1973 |
| logD: | 3.1973 |
| logSw: | -3.3719 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.97 |
| InChI Key: | MUEUBWUFBSEJQT-UHFFFAOYSA-N |