N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide
N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide
Compound characteristics
Compound ID: | C328-0083 |
Compound Name: | N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-1,3,4-oxadiazol-2-yl}methyl)-3,4,5-trimethoxybenzamide |
Molecular Weight: | 458.49 |
Molecular Formula: | C21 H22 N4 O6 S |
Smiles: | COc1cc(cc(c1OC)OC)C(NCc1nnc(o1)SCC(Nc1ccccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.7344 |
logD: | 1.7344 |
logSw: | -2.5411 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 100.542 |
InChI Key: | JNPAOFZNQMPTFO-UHFFFAOYSA-N |