1-(4-{[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazin-1-yl)-2-(phenylsulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(4-{[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazin-1-yl)-2-(phenylsulfanyl)ethan-1-one
1-(4-{[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazin-1-yl)-2-(phenylsulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | V028-6693 |
| Compound Name: | 1-(4-{[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazin-1-yl)-2-(phenylsulfanyl)ethan-1-one |
| Molecular Weight: | 463.38 |
| Molecular Formula: | C21 H20 Cl2 N4 O2 S |
| Smiles: | C1CN(CCN1Cc1nc(c2ccc(cc2[Cl])[Cl])on1)C(CSc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0464 |
| logD: | 4.0464 |
| logSw: | -4.4832 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.568 |
| InChI Key: | NPOMYNAOPZMYBA-UHFFFAOYSA-N |