N-[3-(3-{1-[3-(azepan-1-yl)-3-oxopropyl]-1H-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)-2-methylphenyl]acetamide
Chemical Structure Depiction of
N-[3-(3-{1-[3-(azepan-1-yl)-3-oxopropyl]-1H-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)-2-methylphenyl]acetamide
N-[3-(3-{1-[3-(azepan-1-yl)-3-oxopropyl]-1H-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)-2-methylphenyl]acetamide
Compound characteristics
| Compound ID: | L701-0694 |
| Compound Name: | N-[3-(3-{1-[3-(azepan-1-yl)-3-oxopropyl]-1H-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)-2-methylphenyl]acetamide |
| Molecular Weight: | 487.56 |
| Molecular Formula: | C26 H29 N7 O3 |
| Smiles: | CC(Nc1cccc(c1C)c1nc(c2ccc3c(c2)nnn3CCC(N2CCCCCC2)=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0805 |
| logD: | 3.0805 |
| logSw: | -3.3825 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.336 |
| InChI Key: | VFRJQVQSZYTPHX-UHFFFAOYSA-N |