1-(azepan-1-yl)-3-{5-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}propan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-3-{5-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}propan-1-one
1-(azepan-1-yl)-3-{5-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}propan-1-one
Compound characteristics
| Compound ID: | L701-0795 |
| Compound Name: | 1-(azepan-1-yl)-3-{5-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}propan-1-one |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C22 H24 N6 O2 S |
| Smiles: | Cc1ccc(c2nc(c3ccc4c(c3)nnn4CCC(N3CCCCCC3)=O)no2)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3738 |
| logD: | 4.3738 |
| logSw: | -4.2741 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 74.79 |
| InChI Key: | XGQWNJOKOIZDTE-UHFFFAOYSA-N |