methyl 2-chloro-4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate
Chemical Structure Depiction of
methyl 2-chloro-4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate
methyl 2-chloro-4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate
Compound characteristics
| Compound ID: | C777-0399 |
| Compound Name: | methyl 2-chloro-4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4H-thieno[3,2-b]pyrrole-5-carboxylate |
| Molecular Weight: | 380.82 |
| Molecular Formula: | C17 H14 Cl F N2 O3 S |
| Smiles: | Cc1ccc(cc1F)NC(Cn1c(cc2c1cc(s2)[Cl])C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4457 |
| logD: | 4.4453 |
| logSw: | -4.5381 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.034 |
| InChI Key: | ARBLIRFRLOHZGS-UHFFFAOYSA-N |