(azepan-1-yl)[1-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]methanone
Chemical Structure Depiction of
(azepan-1-yl)[1-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]methanone
(azepan-1-yl)[1-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]methanone
Compound characteristics
| Compound ID: | D351-2688 |
| Compound Name: | (azepan-1-yl)[1-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]methanone |
| Molecular Weight: | 410.9 |
| Molecular Formula: | C22 H23 Cl N4 O2 |
| Smiles: | COc1ccc(cc1)c1nc(C(N2CCCCCC2)=O)nn1c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1756 |
| logD: | 5.1756 |
| logSw: | -5.7101 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.412 |
| InChI Key: | NHKGVVISYJDXBG-UHFFFAOYSA-N |