ethyl 4-{[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-{[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate
ethyl 4-{[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | 8003-4549 |
| Compound Name: | ethyl 4-{[4-(4-chlorophenyl)-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 428.94 |
| Molecular Formula: | C22 H21 Cl N2 O3 S |
| Smiles: | CCOC(CC(CSc1c(C#N)c(c2ccc(cc2)[Cl])c2CCCCc2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1428 |
| logD: | 5.1427 |
| logSw: | -5.7308 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.106 |
| InChI Key: | RROFBHZVXOWLOE-UHFFFAOYSA-N |