2-(2H-1,3-benzodioxol-5-yl)-1-[4-({3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-1-[4-({3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)piperazin-1-yl]ethan-1-one
2-(2H-1,3-benzodioxol-5-yl)-1-[4-({3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | V012-3683 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-1-[4-({3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl}methyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 516.98 |
| Molecular Formula: | C28 H25 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | C(C(N1CCN(CC1)Cc1cccc(c1)c1nc(c2cccc(c2)[Cl])on1)=O)c1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 5.2314 |
| logD: | 5.231 |
| logSw: | -5.68 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.421 |
| InChI Key: | UDOLXQSUIHVIHE-UHFFFAOYSA-N |