1-(azepan-1-yl)-3-{5-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}propan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-3-{5-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}propan-1-one
1-(azepan-1-yl)-3-{5-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}propan-1-one
Compound characteristics
| Compound ID: | L701-0770 |
| Compound Name: | 1-(azepan-1-yl)-3-{5-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}propan-1-one |
| Molecular Weight: | 444.54 |
| Molecular Formula: | C25 H28 N6 O2 |
| Smiles: | Cc1ccc(c(C)c1)c1nc(c2ccc3c(c2)nnn3CCC(N2CCCCCC2)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.7886 |
| logD: | 4.7886 |
| logSw: | -4.4363 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.772 |
| InChI Key: | KHWNJCAGSZZDDY-UHFFFAOYSA-N |