ethyl 2-[3-(acetylsulfanyl)propanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[3-(acetylsulfanyl)propanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-[3-(acetylsulfanyl)propanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8755-0211 |
| Compound Name: | ethyl 2-[3-(acetylsulfanyl)propanamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 369.5 |
| Molecular Formula: | C17 H23 N O4 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(CCSC(C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5277 |
| logD: | 1.1319 |
| logSw: | -3.7971 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.547 |
| InChI Key: | WZVGQMRAUSEDLK-UHFFFAOYSA-N |