methyl 2-{2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D360-5502 |
| Compound Name: | methyl 2-{2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C20 H19 N3 O3 S |
| Smiles: | COC(c1ccccc1NC(CSc1c(C#N)cc2CCCCc2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6337 |
| logD: | 3.6181 |
| logSw: | -3.8779 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.817 |
| InChI Key: | DAQFVFIBCXMLIS-UHFFFAOYSA-N |