ethyl 3-acetamido-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 3-acetamido-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
ethyl 3-acetamido-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | E649-1885 |
| Compound Name: | ethyl 3-acetamido-1-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate |
| Molecular Weight: | 485.62 |
| Molecular Formula: | C24 H27 N3 O4 S2 |
| Smiles: | CCOC(c1c(c2c3CCCCc3sc2n1CC(Nc1cccc(c1)SC)=O)NC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.874 |
| logD: | 3.1915 |
| logSw: | -4.1956 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.012 |
| InChI Key: | RMBXORBEYHBARO-UHFFFAOYSA-N |