ethyl 2-{2-[(3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{2-[(3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D360-7012 |
| Compound Name: | ethyl 2-{2-[(3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 469.58 |
| Molecular Formula: | C23 H23 N3 O4 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(CSc1c(C#N)cc2C(CCCc2n1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.354 |
| logD: | 2.2507 |
| logSw: | -4.4149 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.058 |
| InChI Key: | DTADEXQMGCXARQ-UHFFFAOYSA-N |