methyl {[7-tert-butyl-3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[7-tert-butyl-3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate
methyl {[7-tert-butyl-3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8003-6125 |
| Compound Name: | methyl {[7-tert-butyl-3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 400.56 |
| Molecular Formula: | C21 H24 N2 O2 S2 |
| Smiles: | CC(C)(C)C1CCc2c(c(C#N)c(nc2C1)SCC(=O)OC)c1cccs1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5059 |
| logD: | 5.5056 |
| logSw: | -5.4301 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.789 |
| InChI Key: | DEQCKRPLMSUCBS-CYBMUJFWSA-N |