1-(azepan-1-yl)-3-(5-{5-[(4-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-3-(5-{5-[(4-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)propan-1-one
1-(azepan-1-yl)-3-(5-{5-[(4-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | L701-0814 |
| Compound Name: | 1-(azepan-1-yl)-3-(5-{5-[(4-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)propan-1-one |
| Molecular Weight: | 494.98 |
| Molecular Formula: | C25 H27 Cl N6 O3 |
| Smiles: | Cc1cc(ccc1OCc1nc(c2ccc3c(c2)nnn3CCC(N2CCCCCC2)=O)no1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2745 |
| logD: | 5.2745 |
| logSw: | -5.8059 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.024 |
| InChI Key: | AHEJJWHAEYPKMN-UHFFFAOYSA-N |