3-{5-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-{5-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one
3-{5-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | L701-0146 |
| Compound Name: | 3-{5-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 448.48 |
| Molecular Formula: | C23 H24 N6 O4 |
| Smiles: | COc1ccc(cc1OC)c1nc(c2ccc3c(c2)nnn3CCC(N2CCCC2)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.8052 |
| logD: | 2.8052 |
| logSw: | -3.1282 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 89.068 |
| InChI Key: | WPOSUTPOMDYXFC-UHFFFAOYSA-N |