methyl 2-(2-ethylbutanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(2-ethylbutanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-(2-ethylbutanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-4836 |
| Compound Name: | methyl 2-(2-ethylbutanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 323.45 |
| Molecular Formula: | C17 H25 N O3 S |
| Smiles: | CCC(CC)C(Nc1c(C(=O)OC)c2CCCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3489 |
| logD: | 1.5787 |
| logSw: | -4.3472 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.821 |
| InChI Key: | AHLXKEZVFZQXCQ-UHFFFAOYSA-N |