6-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
6-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
6-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | C656-0445 |
| Compound Name: | 6-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 355.76 |
| Molecular Formula: | C17 H11 Cl F N5 O |
| Smiles: | C(c1ccc(cc1)[Cl])N1C=Nc2c(C1=O)nnn2c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.7539 |
| logD: | 2.7539 |
| logSw: | -3.2421 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.158 |
| InChI Key: | QEOUOENIHFCDAQ-UHFFFAOYSA-N |