methyl 4-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
Chemical Structure Depiction of
methyl 4-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
methyl 4-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
Compound characteristics
| Compound ID: | C777-0310 |
| Compound Name: | methyl 4-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate |
| Molecular Weight: | 360.45 |
| Molecular Formula: | C17 H16 N2 O3 S2 |
| Smiles: | COC(c1cc2c(ccs2)n1CC(Nc1cccc(c1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6169 |
| logD: | 3.6169 |
| logSw: | -3.81 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.034 |
| InChI Key: | XWMWJFQSGCBJHN-UHFFFAOYSA-N |