ethyl 3-{2-[(3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 3-{2-[(3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamido}benzoate
ethyl 3-{2-[(3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D360-7007 |
| Compound Name: | ethyl 3-{2-[(3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C21 H19 N3 O4 S |
| Smiles: | CCOC(c1cccc(c1)NC(CSc1c(C#N)cc2C(CCCc2n1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0441 |
| logD: | 4.0441 |
| logSw: | -4.1607 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.343 |
| InChI Key: | FETWCKISEFMAJV-UHFFFAOYSA-N |