N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | C328-0449 |
| Compound Name: | N-[(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide |
| Molecular Weight: | 434.51 |
| Molecular Formula: | C20 H26 N4 O5 S |
| Smiles: | COc1ccc(cc1OC)C(NCc1nnc(o1)SCC(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5284 |
| logD: | 1.5284 |
| logSw: | -2.3752 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.399 |
| InChI Key: | IJMJAXQVPDJOLT-UHFFFAOYSA-N |