methyl 4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
Chemical Structure Depiction of
methyl 4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
methyl 4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
Compound characteristics
| Compound ID: | C777-0779 |
| Compound Name: | methyl 4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylate |
| Molecular Weight: | 376.86 |
| Molecular Formula: | C18 H17 Cl N2 O3 S |
| Smiles: | Cc1c(cccc1[Cl])NC(Cn1c(cc2c1cc(C)s2)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5536 |
| logD: | 4.553 |
| logSw: | -4.5236 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.336 |
| InChI Key: | DFYZOQHPRGRULN-UHFFFAOYSA-N |