3-(4-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)benzonitrile
Chemical Structure Depiction of
3-(4-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)benzonitrile
3-(4-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)benzonitrile
Compound characteristics
| Compound ID: | D676-5073 |
| Compound Name: | 3-(4-{[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)benzonitrile |
| Molecular Weight: | 407.86 |
| Molecular Formula: | C21 H18 Cl N5 O2 |
| Smiles: | C1CN(CCN1Cc1nc(c2cccc(c2)[Cl])on1)C(c1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6045 |
| logD: | 2.6045 |
| logSw: | -3.1976 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.151 |
| InChI Key: | PVKCVYVSDJUSJS-UHFFFAOYSA-N |