ethyl 2-[3-(methylsulfanyl)propanamido]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[3-(methylsulfanyl)propanamido]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[3-(methylsulfanyl)propanamido]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V011-2113 |
| Compound Name: | ethyl 2-[3-(methylsulfanyl)propanamido]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 403.56 |
| Molecular Formula: | C21 H25 N O3 S2 |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(CCSC)=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.854 |
| logD: | 2.7453 |
| logSw: | -4.6147 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.585 |
| InChI Key: | BQMBIGWBGKVVSD-OAHLLOKOSA-N |