methyl 6-[2-(3,5-dimethylanilino)-2-oxoethyl]-6H-thieno[2,3-b]pyrrole-5-carboxylate
Chemical Structure Depiction of
methyl 6-[2-(3,5-dimethylanilino)-2-oxoethyl]-6H-thieno[2,3-b]pyrrole-5-carboxylate
methyl 6-[2-(3,5-dimethylanilino)-2-oxoethyl]-6H-thieno[2,3-b]pyrrole-5-carboxylate
Compound characteristics
| Compound ID: | C777-0702 |
| Compound Name: | methyl 6-[2-(3,5-dimethylanilino)-2-oxoethyl]-6H-thieno[2,3-b]pyrrole-5-carboxylate |
| Molecular Weight: | 342.41 |
| Molecular Formula: | C18 H18 N2 O3 S |
| Smiles: | Cc1cc(C)cc(c1)NC(Cn1c(cc2ccsc12)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9831 |
| logD: | 3.9831 |
| logSw: | -4.1149 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.869 |
| InChI Key: | JYASSAJMPVVMHV-UHFFFAOYSA-N |