ethyl 4-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-3-oxobutanoate
ethyl 4-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-3-oxobutanoate
Compound characteristics
| Compound ID: | 8002-7108 |
| Compound Name: | ethyl 4-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-3-oxobutanoate |
| Molecular Weight: | 318.39 |
| Molecular Formula: | C16 H18 N2 O3 S |
| Smiles: | CCOC(CC(CSc1c(C#N)cc2CCCCc2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7074 |
| logD: | 2.7073 |
| logSw: | -3.0063 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.377 |
| InChI Key: | OLGKPQLPXOZCCC-UHFFFAOYSA-N |