ethyl 6-cyano-2-[3-(methylsulfanyl)propanamido]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-cyano-2-[3-(methylsulfanyl)propanamido]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-cyano-2-[3-(methylsulfanyl)propanamido]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V011-0849 |
| Compound Name: | ethyl 6-cyano-2-[3-(methylsulfanyl)propanamido]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 428.57 |
| Molecular Formula: | C22 H24 N2 O3 S2 |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(CCSC)=O)(C#N)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1307 |
| logD: | 2.022 |
| logSw: | -4.3019 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.641 |
| InChI Key: | UIOMPKOKLVZMKY-JOCHJYFZSA-N |