N-{[5-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-{[5-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4,5-trimethoxybenzamide
N-{[5-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | C328-0098 |
| Compound Name: | N-{[5-({2-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl}sulfanyl)-1,3,4-oxadiazol-2-yl]methyl}-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 516.53 |
| Molecular Formula: | C23 H24 N4 O8 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(NCc1nnc(o1)SCC(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8987 |
| logD: | 0.8987 |
| logSw: | -2.3537 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.365 |
| InChI Key: | ZAQDXNASVAOGGO-UHFFFAOYSA-N |