ethyl 3-acetamido-1-{[2-(2-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-(2-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-(2-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: | C794-1382 |
| Compound Name: | ethyl 3-acetamido-1-{[2-(2-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(c2ccccc2[Cl])n1)NC(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7766 |
| logD: | 4.1519 |
| logSw: | -4.8285 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.984 |
| InChI Key: | OATONKBVEDTZAP-UHFFFAOYSA-N |