1-{[1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]methyl}azepane
Chemical Structure Depiction of
1-{[1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]methyl}azepane
1-{[1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]methyl}azepane
Compound characteristics
| Compound ID: | P559-0031 |
| Compound Name: | 1-{[1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]methyl}azepane |
| Molecular Weight: | 288.37 |
| Molecular Formula: | C16 H21 F N4 |
| Smiles: | Cc1c(CN2CCCCCC2)nnn1c1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 2.7673 |
| logD: | 1.5078 |
| logSw: | -2.7128 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 31.64 |
| InChI Key: | NTQZBRFIVOOMML-UHFFFAOYSA-N |