ethyl 3-acetamido-1-{2-[ethyl(3-methylphenyl)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-[ethyl(3-methylphenyl)amino]-2-oxoethyl}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
ethyl 3-acetamido-1-{2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
Compound characteristics
Compound ID: | E649-1886 |
Compound Name: | ethyl 3-acetamido-1-{2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate |
Molecular Weight: | 481.61 |
Molecular Formula: | C26 H31 N3 O4 S |
Smiles: | CCN(C(Cn1c(C(=O)OCC)c(c2c3CCCCc3sc12)NC(C)=O)=O)c1cccc(C)c1 |
Stereo: | ACHIRAL |
logP: | 3.9819 |
logD: | 3.2994 |
logSw: | -4.1904 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.954 |
InChI Key: | JMQJBQYLGMUALQ-UHFFFAOYSA-N |