1-(pyrrolidin-1-yl)-3-(5-{5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)propan-1-one
Chemical Structure Depiction of
1-(pyrrolidin-1-yl)-3-(5-{5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)propan-1-one
1-(pyrrolidin-1-yl)-3-(5-{5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)propan-1-one
Compound characteristics
| Compound ID: | L701-0164 |
| Compound Name: | 1-(pyrrolidin-1-yl)-3-(5-{5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)propan-1-one |
| Molecular Weight: | 456.43 |
| Molecular Formula: | C22 H19 F3 N6 O2 |
| Smiles: | C1CCN(C1)C(CCn1c2ccc(cc2nn1)c1nc(c2ccc(cc2)C(F)(F)F)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.134 |
| logD: | 4.134 |
| logSw: | -4.315 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.807 |
| InChI Key: | ILSPFJSESWZXOT-UHFFFAOYSA-N |