5-(4-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)-2-methoxybenzonitrile
Chemical Structure Depiction of
5-(4-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)-2-methoxybenzonitrile
5-(4-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)-2-methoxybenzonitrile
Compound characteristics
| Compound ID: | D676-5075 |
| Compound Name: | 5-(4-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)-2-methoxybenzonitrile |
| Molecular Weight: | 437.88 |
| Molecular Formula: | C22 H20 Cl N5 O3 |
| Smiles: | COc1ccc(cc1C#N)C(N1CCN(CC1)Cc1nc(c2cccc(c2)[Cl])on1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5898 |
| logD: | 2.5898 |
| logSw: | -3.3831 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 77.782 |
| InChI Key: | HNMKINDHVSGJAG-UHFFFAOYSA-N |