ethyl 3-acetamido-1-[2-(3-ethylanilino)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 3-acetamido-1-[2-(3-ethylanilino)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
ethyl 3-acetamido-1-[2-(3-ethylanilino)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | E649-1881 |
| Compound Name: | ethyl 3-acetamido-1-[2-(3-ethylanilino)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate |
| Molecular Weight: | 467.59 |
| Molecular Formula: | C25 H29 N3 O4 S |
| Smiles: | CCc1cccc(c1)NC(Cn1c(C(=O)OCC)c(c2c3CCCCc3sc12)NC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2036 |
| logD: | 3.521 |
| logSw: | -4.5207 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.012 |
| InChI Key: | KZALAQZEVWNDMB-UHFFFAOYSA-N |