N-[2-(azepan-1-yl)ethyl]-2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}acetamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}acetamide
N-[2-(azepan-1-yl)ethyl]-2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}acetamide
Compound characteristics
| Compound ID: | C527-1689 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanesulfinyl}acetamide |
| Molecular Weight: | 463.6 |
| Molecular Formula: | C23 H33 N3 O5 S |
| Smiles: | Cc1c(CS(CC(NCCN2CCCCCC2)=O)=O)nc(c2ccc(c(c2)OC)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 1.7871 |
| logD: | 0.1719 |
| logSw: | -2.4345 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.02 |
| InChI Key: | FGUKTHVOPWQWLJ-UHFFFAOYSA-N |