1-(azepan-1-yl)-3-{5-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}propan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-3-{5-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}propan-1-one
1-(azepan-1-yl)-3-{5-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}propan-1-one
Compound characteristics
| Compound ID: | L701-0822 |
| Compound Name: | 1-(azepan-1-yl)-3-{5-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}propan-1-one |
| Molecular Weight: | 476.53 |
| Molecular Formula: | C25 H28 N6 O4 |
| Smiles: | COc1ccc(cc1OC)c1nc(c2ccc3c(c2)nnn3CCC(N2CCCCCC2)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.5201 |
| logD: | 3.5201 |
| logSw: | -3.6267 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 89.033 |
| InChI Key: | RZKDLOQCTYDNJL-UHFFFAOYSA-N |