ethyl 6-methyl-2-[3-(methylsulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-methyl-2-[3-(methylsulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-methyl-2-[3-(methylsulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V013-1682 |
| Compound Name: | ethyl 6-methyl-2-[3-(methylsulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 341.49 |
| Molecular Formula: | C16 H23 N O3 S2 |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(CCSC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6823 |
| logD: | 1.5531 |
| logSw: | -4.1522 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.856 |
| InChI Key: | YSYLEGJPENNTCC-SNVBAGLBSA-N |