ethyl 3-acetamido-1-(2-{[(4-methylphenyl)methyl]amino}-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-methylphenyl)methyl]amino}-2-oxoethyl)-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
ethyl 3-acetamido-1-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | E649-1910 |
| Compound Name: | ethyl 3-acetamido-1-(2-{[(4-methylphenyl)methyl]amino}-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: | CCOC(c1c(c2c3CCCCc3sc2n1CC(NCc1ccc(C)cc1)=O)NC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4142 |
| logD: | 2.7317 |
| logSw: | -3.9003 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.334 |
| InChI Key: | JVAAQOQDULJEDZ-UHFFFAOYSA-N |