2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | 5542-0003 |
| Compound Name: | 2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Smiles: | CC1(C)CC(c2cc(C#N)c(nc2C1)SCC(Nc1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6399 |
| logD: | 3.6399 |
| logSw: | -4.054 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.133 |
| InChI Key: | ARBSZMHHOXMXRK-UHFFFAOYSA-N |