{4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
Chemical Structure Depiction of
{4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
{4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
Compound characteristics
| Compound ID: | V031-2491 |
| Compound Name: | {4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone |
| Molecular Weight: | 527.36 |
| Molecular Formula: | C25 H20 Cl2 N4 O5 |
| Salt: | not_available |
| Smiles: | Cc1c(C(N2CCC(CC2)c2nc(c3ccc4c(c3)OCO4)no2)=O)c(c2c(cccc2[Cl])[Cl])no1 |
| Stereo: | ACHIRAL |
| logP: | 5.3389 |
| logD: | 5.3389 |
| logSw: | -6.1466 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 87.368 |
| InChI Key: | KUBYXUFHVRADSJ-UHFFFAOYSA-N |