methyl 4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate
Chemical Structure Depiction of
methyl 4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate
methyl 4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate
Compound characteristics
| Compound ID: | C777-0311 |
| Compound Name: | methyl 4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate |
| Molecular Weight: | 362.83 |
| Molecular Formula: | C17 H15 Cl N2 O3 S |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(Cn1c(cc2c1ccs2)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8798 |
| logD: | 3.8794 |
| logSw: | -4.1615 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.336 |
| InChI Key: | XFBTXJPADDLQTD-UHFFFAOYSA-N |