4-(3-{1-[3-oxo-3-(piperidin-1-yl)propyl]-1H-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)benzonitrile
Chemical Structure Depiction of
4-(3-{1-[3-oxo-3-(piperidin-1-yl)propyl]-1H-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)benzonitrile
4-(3-{1-[3-oxo-3-(piperidin-1-yl)propyl]-1H-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)benzonitrile
Compound characteristics
| Compound ID: | L701-0228 |
| Compound Name: | 4-(3-{1-[3-oxo-3-(piperidin-1-yl)propyl]-1H-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)benzonitrile |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C23 H21 N7 O2 |
| Smiles: | C1CCN(CC1)C(CCn1c2ccc(cc2nn1)c1nc(c2ccc(C#N)cc2)on1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1346 |
| logD: | 3.1346 |
| logSw: | -3.2399 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 90.497 |
| InChI Key: | SPHYGWQMPXMAEM-UHFFFAOYSA-N |