N-[3-(azepan-1-yl)propyl]-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]acetamide
N-[3-(azepan-1-yl)propyl]-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C564-0109 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 401.57 |
| Molecular Formula: | C22 H31 N3 O2 S |
| Smiles: | CCN1C(C=C(c2ccccc12)SCC(NCCCN1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5349 |
| logD: | -0.0938 |
| logSw: | -2.9069 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.97 |
| InChI Key: | YBXRNQMHHHZYBI-UHFFFAOYSA-N |