methyl 2-chloro-4-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
Chemical Structure Depiction of
methyl 2-chloro-4-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
methyl 2-chloro-4-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
Compound characteristics
| Compound ID: | C777-0394 |
| Compound Name: | methyl 2-chloro-4-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate |
| Molecular Weight: | 394.9 |
| Molecular Formula: | C17 H15 Cl N2 O3 S2 |
| Smiles: | COC(c1cc2c(cc(s2)[Cl])n1CC(Nc1cccc(c1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2569 |
| logD: | 4.2569 |
| logSw: | -4.4812 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.034 |
| InChI Key: | JMGROVOHXVXPSV-UHFFFAOYSA-N |