2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | D360-5823 |
| Compound Name: | 2-[(3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | CC1(C)CC(c2cc(C#N)c(nc2C1)SCC(Nc1ccc(cc1OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3187 |
| logD: | 3.3186 |
| logSw: | -3.7328 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.065 |
| InChI Key: | YGOXUDBOBHHLSF-UHFFFAOYSA-N |