1-(azepan-1-yl)-3-(5-{5-[(3-chloro-4-methoxyphenyl)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-[(3-chloro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)propan-1-one
1-(azepan-1-yl)-3-(5-{5-[(3-chloro-4-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | L701-0799 |
| Compound Name: | 1-(azepan-1-yl)-3-(5-{5-[(3-chloro-4-methoxyphenyl)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: | COc1ccc(Cc2nc(c3ccc4c(c3)nnn4CCC(N3CCCCCC3)=O)no2)cc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3851 |
| logD: | 4.3851 |
| logSw: | -4.6176 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.068 |
| InChI Key: | RZYKUTZTTRPICP-UHFFFAOYSA-N |