N-[(5-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-[(5-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
N-[(5-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
Compound characteristics
Compound ID: | C328-0108 |
Compound Name: | N-[(5-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide |
Molecular Weight: | 514.6 |
Molecular Formula: | C25 H30 N4 O6 S |
Smiles: | CCCCc1ccc(cc1)NC(CSc1nnc(CNC(c2cc(c(c(c2)OC)OC)OC)=O)o1)=O |
Stereo: | ACHIRAL |
logP: | 3.8954 |
logD: | 3.8954 |
logSw: | -3.998 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 100.542 |
InChI Key: | CHZQQIDOZYRBFT-UHFFFAOYSA-N |