(azepan-1-yl)[1-(2-methylphenyl)-5-phenyl-1H-1,2,4-triazol-3-yl]methanone
Chemical Structure Depiction of
(azepan-1-yl)[1-(2-methylphenyl)-5-phenyl-1H-1,2,4-triazol-3-yl]methanone
(azepan-1-yl)[1-(2-methylphenyl)-5-phenyl-1H-1,2,4-triazol-3-yl]methanone
Compound characteristics
| Compound ID: | D351-2901 |
| Compound Name: | (azepan-1-yl)[1-(2-methylphenyl)-5-phenyl-1H-1,2,4-triazol-3-yl]methanone |
| Molecular Weight: | 360.46 |
| Molecular Formula: | C22 H24 N4 O |
| Smiles: | Cc1ccccc1n1c(c2ccccc2)nc(C(N2CCCCCC2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.8782 |
| logD: | 4.8782 |
| logSw: | -4.5517 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.568 |
| InChI Key: | HZKKGQYTPNTQAF-UHFFFAOYSA-N |