N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | C328-0069 |
| Compound Name: | N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 464.54 |
| Molecular Formula: | C21 H28 N4 O6 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(NCc1nnc(o1)SCC(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.685 |
| logD: | 1.685 |
| logSw: | -2.4398 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.116 |
| InChI Key: | ASUPMBOWSIVIHL-UHFFFAOYSA-N |