ethyl 3-acetamido-1-[(pyridin-2-yl)methyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 3-acetamido-1-[(pyridin-2-yl)methyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
ethyl 3-acetamido-1-[(pyridin-2-yl)methyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | E649-1860 |
| Compound Name: | ethyl 3-acetamido-1-[(pyridin-2-yl)methyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | CCOC(c1c(c2c3CCCCc3sc2n1Cc1ccccn1)NC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6774 |
| logD: | 2.0527 |
| logSw: | -2.8904 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.405 |
| InChI Key: | CQNXDBFRNSSGSV-UHFFFAOYSA-N |