methyl 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-0116 |
| Compound Name: | methyl 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 653.38 |
| Molecular Formula: | C20 H15 F16 N O3 S |
| Smiles: | COC(c1c2CCCCCc2sc1NC(C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0035 |
| logD: | 1.8694 |
| logSw: | -5.7395 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.821 |
| InChI Key: | DKMUAMPUDNJEHS-UHFFFAOYSA-N |