ethyl 3-acetamido-1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 3-acetamido-1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
ethyl 3-acetamido-1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate
Compound characteristics
Compound ID: | C794-1387 |
Compound Name: | ethyl 3-acetamido-1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4,5,6,7-tetrahydro-1H-[1]benzothieno[2,3-b]pyrrole-2-carboxylate |
Molecular Weight: | 512.03 |
Molecular Formula: | C26 H26 Cl N3 O4 S |
Smiles: | CCOC(c1c(c2c3CCCCc3sc2n1Cc1c(C)oc(c2cccc(c2)[Cl])n1)NC(C)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.9527 |
logD: | 4.328 |
logSw: | -5.0728 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.984 |
InChI Key: | OCVVVQVGWCPEOS-UHFFFAOYSA-N |