ethyl 2-(2,2,3,3,4,4,4-heptafluorobutanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2,2,3,3,4,4,4-heptafluorobutanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-(2,2,3,3,4,4,4-heptafluorobutanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0216 |
| Compound Name: | ethyl 2-(2,2,3,3,4,4,4-heptafluorobutanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 435.36 |
| Molecular Formula: | C16 H16 F7 N O3 S |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(C(C(C(F)(F)F)(F)F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4755 |
| logD: | 0.3415 |
| logSw: | -5.1619 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.401 |
| InChI Key: | CKCFCDAWOUWTRQ-UHFFFAOYSA-N |