ethyl 3-acetamido-1-{2-[4-(ethoxycarbonyl)anilino]-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-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
ethyl 3-acetamido-1-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | C794-1363 |
| Compound Name: | ethyl 3-acetamido-1-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate |
| Molecular Weight: | 511.6 |
| Molecular Formula: | C26 H29 N3 O6 S |
| Smiles: | CCOC(c1ccc(cc1)NC(Cn1c(C(=O)OCC)c(c2c3CCCCc3sc12)NC(C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0145 |
| logD: | 3.332 |
| logSw: | -4.2289 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.765 |
| InChI Key: | MYZYPRVUCHQZRP-UHFFFAOYSA-N |