ethyl 3-acetamido-1-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 3-acetamido-1-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
ethyl 3-acetamido-1-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | C794-1335 |
| Compound Name: | ethyl 3-acetamido-1-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate |
| Molecular Weight: | 430.95 |
| Molecular Formula: | C22 H23 Cl N2 O3 S |
| Smiles: | CCOC(c1c(c2c3CCCCc3sc2n1Cc1ccccc1[Cl])NC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4475 |
| logD: | 3.8783 |
| logSw: | -4.4055 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.862 |
| InChI Key: | YGLNOQNWBSBOSI-UHFFFAOYSA-N |