N-[(5-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[(5-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide
N-[(5-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide
Compound characteristics
Compound ID: | C328-0054 |
Compound Name: | N-[(5-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide |
Molecular Weight: | 458.49 |
Molecular Formula: | C21 H22 N4 O6 S |
Smiles: | COc1ccc(cc1)C(NCc1nnc(o1)SCC(Nc1cc(ccc1OC)OC)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.8112 |
logD: | 1.8107 |
logSw: | -2.5334 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 99.584 |
InChI Key: | XKRKCFHUPNSLBW-UHFFFAOYSA-N |