ethyl 2-{2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamido}benzoate
ethyl 2-{2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D360-5531 |
| Compound Name: | ethyl 2-{2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Smiles: | CCOC(c1ccccc1NC(CSc1c(C#N)cc2CCCCc2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1773 |
| logD: | 4.1618 |
| logSw: | -4.1268 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.397 |
| InChI Key: | KLWWAXPYSGARTK-UHFFFAOYSA-N |