methyl 2-[2-(3,4-diethoxyphenyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(3,4-diethoxyphenyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-[2-(3,4-diethoxyphenyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8012-9153 |
| Compound Name: | methyl 2-[2-(3,4-diethoxyphenyl)acetamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 431.55 |
| Molecular Formula: | C23 H29 N O5 S |
| Smiles: | CCOc1ccc(CC(Nc2c(C(=O)OC)c3CCCCCc3s2)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.2249 |
| logD: | 1.4751 |
| logSw: | -4.4543 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.757 |
| InChI Key: | ROPFKOKQGBJXJR-UHFFFAOYSA-N |