1-[3-(4-chlorophenyl)-5-{[(4-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[3-(4-chlorophenyl)-5-{[(4-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethan-1-one
1-[3-(4-chlorophenyl)-5-{[(4-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 6855-0367 |
| Compound Name: | 1-[3-(4-chlorophenyl)-5-{[(4-fluorophenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 450.9 |
| Molecular Formula: | C24 H20 Cl F N4 O2 |
| Smiles: | COc1ccc(CC(n2c(NCc3ccc(cc3)F)nc(c3ccc(cc3)[Cl])n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1332 |
| logD: | 5.1306 |
| logSw: | -5.7274 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.243 |
| InChI Key: | MDHAQHKZOVCFON-UHFFFAOYSA-N |