ethyl 3-acetamido-1-[2-(2-chloro-4-methylanilino)-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-(2-chloro-4-methylanilino)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
ethyl 3-acetamido-1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | E649-1931 |
| Compound Name: | ethyl 3-acetamido-1-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate |
| Molecular Weight: | 488 |
| Molecular Formula: | C24 H26 Cl N3 O4 S |
| Smiles: | CCOC(c1c(c2c3CCCCc3sc2n1CC(Nc1ccc(C)cc1[Cl])=O)NC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1369 |
| logD: | 3.4544 |
| logSw: | -4.4026 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.314 |
| InChI Key: | RHGLEQCRTHWPSU-UHFFFAOYSA-N |