ethyl 2-{2-[(2H-1,3-benzodioxol-5-yl)oxy]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(2H-1,3-benzodioxol-5-yl)oxy]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-{2-[(2H-1,3-benzodioxol-5-yl)oxy]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8012-4285 |
| Compound Name: | ethyl 2-{2-[(2H-1,3-benzodioxol-5-yl)oxy]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 417.48 |
| Molecular Formula: | C21 H23 N O6 S |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(COc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3786 |
| logD: | 2.1968 |
| logSw: | -4.4694 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.531 |
| InChI Key: | HJUMRLCZDGIMBY-UHFFFAOYSA-N |