N-{[5-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-{[5-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4,5-trimethoxybenzamide
N-{[5-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | C328-0099 |
| Compound Name: | N-{[5-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 502.5 |
| Molecular Formula: | C22 H22 N4 O8 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(NCc1nnc(o1)SCC(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7593 |
| logD: | 1.7593 |
| logSw: | -2.5722 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.657 |
| InChI Key: | ZNZJJUWMKBUXAJ-UHFFFAOYSA-N |