methyl 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
methyl 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
methyl 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: | E649-1791 |
| Compound Name: | methyl 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: | 498 |
| Molecular Formula: | C25 H24 Cl N3 O4 S |
| Smiles: | CC(Nc1c2c3CCCCc3sc2n(Cc2c(C)oc(c3ccccc3[Cl])n2)c1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4266 |
| logD: | 3.8019 |
| logSw: | -4.5751 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.405 |
| InChI Key: | WCLKGADTBXVPPZ-UHFFFAOYSA-N |