1-(pyrrolidin-1-yl)-3-(5-{5-[2-(thiophen-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-(pyrrolidin-1-yl)-3-(5-{5-[2-(thiophen-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)propan-1-one
1-(pyrrolidin-1-yl)-3-(5-{5-[2-(thiophen-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | L701-0153 |
| Compound Name: | 1-(pyrrolidin-1-yl)-3-(5-{5-[2-(thiophen-2-yl)ethenyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)propan-1-one |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C21 H20 N6 O2 S |
| Smiles: | C1CCN(C1)C(CCn1c2ccc(cc2nn1)c1nc(/C=C/c2cccs2)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4652 |
| logD: | 3.4652 |
| logSw: | -3.8055 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 74.491 |
| InChI Key: | FDKHTCLCLJLXDO-UHFFFAOYSA-N |