3-{5-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-{5-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one
3-{5-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | L701-0119 |
| Compound Name: | 3-{5-[5-(5-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C20 H20 N6 O2 S |
| Smiles: | Cc1ccc(c2nc(c3ccc4c(c3)nnn4CCC(N3CCCC3)=O)no2)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.6589 |
| logD: | 3.6589 |
| logSw: | -3.9033 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 74.825 |
| InChI Key: | BYLIPYXLONNSSG-UHFFFAOYSA-N |