(azepan-1-yl)[1-(3-chlorophenyl)-5-phenyl-1H-1,2,4-triazol-3-yl]methanone
Chemical Structure Depiction of
(azepan-1-yl)[1-(3-chlorophenyl)-5-phenyl-1H-1,2,4-triazol-3-yl]methanone
(azepan-1-yl)[1-(3-chlorophenyl)-5-phenyl-1H-1,2,4-triazol-3-yl]methanone
Compound characteristics
| Compound ID: | D351-2212 |
| Compound Name: | (azepan-1-yl)[1-(3-chlorophenyl)-5-phenyl-1H-1,2,4-triazol-3-yl]methanone |
| Molecular Weight: | 380.88 |
| Molecular Formula: | C21 H21 Cl N4 O |
| Smiles: | C1CCCN(CC1)C(c1nc(c2ccccc2)n(c2cccc(c2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1279 |
| logD: | 5.1279 |
| logSw: | -5.6438 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.868 |
| InChI Key: | CNOQRYSOHYFJJE-UHFFFAOYSA-N |