N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
Compound characteristics
Compound ID: | C328-0116 |
Compound Name: | N-[(5-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide |
Molecular Weight: | 472.52 |
Molecular Formula: | C22 H24 N4 O6 S |
Smiles: | COc1cc(cc(c1OC)OC)C(NCc1nnc(o1)SCC(NCc1ccccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.6075 |
logD: | 1.6075 |
logSw: | -2.4379 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 101.864 |
InChI Key: | YGGITJCOURUFPG-UHFFFAOYSA-N |