N-[2-(4-chlorophenyl)ethyl]-3-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-3-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamide
N-[2-(4-chlorophenyl)ethyl]-3-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamide
Compound characteristics
Compound ID: | G729-0940 |
Compound Name: | N-[2-(4-chlorophenyl)ethyl]-3-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamide |
Molecular Weight: | 447.94 |
Molecular Formula: | C21 H22 Cl N3 O4 S |
Smiles: | Cc1ccc(cc1)S(Cc1nc(CCC(NCCc2ccc(cc2)[Cl])=O)on1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.8767 |
logD: | 2.8767 |
logSw: | -3.6602 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 85.65 |
InChI Key: | CBQLXGDMEJCDPY-UHFFFAOYSA-N |