2-(4-chlorophenyl)-1-{4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(4-chlorophenyl)-1-{4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}ethan-1-one
2-(4-chlorophenyl)-1-{4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S454-0836 |
| Compound Name: | 2-(4-chlorophenyl)-1-{4-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 448.91 |
| Molecular Formula: | C23 H21 Cl N6 O2 |
| Smiles: | C1CN(CCC1n1cc(c2nc(c3ccccc3)no2)nn1)C(Cc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3452 |
| logD: | 4.3452 |
| logSw: | -4.6723 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.771 |
| InChI Key: | CABXBLPTESYQKP-UHFFFAOYSA-N |