methyl 4-[1-(5-chloro-2-methylanilino)-1-oxobutan-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxylate
Chemical Structure Depiction of
methyl 4-[1-(5-chloro-2-methylanilino)-1-oxobutan-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxylate
methyl 4-[1-(5-chloro-2-methylanilino)-1-oxobutan-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxylate
Compound characteristics
| Compound ID: | C777-1064 |
| Compound Name: | methyl 4-[1-(5-chloro-2-methylanilino)-1-oxobutan-2-yl]-4H-thieno[3,2-b]pyrrole-5-carboxylate |
| Molecular Weight: | 390.89 |
| Molecular Formula: | C19 H19 Cl N2 O3 S |
| Smiles: | CCC(C(Nc1cc(ccc1C)[Cl])=O)n1c(cc2c1ccs2)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4255 |
| logD: | 4.424 |
| logSw: | -4.5311 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.83 |
| InChI Key: | YSZYEBIYMABCTH-AWEZNQCLSA-N |