methyl 2-[3-(1,1,2,2-tetrafluoroethoxy)benzamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[3-(1,1,2,2-tetrafluoroethoxy)benzamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-[3-(1,1,2,2-tetrafluoroethoxy)benzamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y508-6996 |
| Compound Name: | methyl 2-[3-(1,1,2,2-tetrafluoroethoxy)benzamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 459.46 |
| Molecular Formula: | C21 H21 F4 N O4 S |
| Smiles: | COC(c1c2CCCCCCc2sc1NC(c1cccc(c1)OC(C(F)F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5676 |
| logD: | 2.5402 |
| logSw: | -5.4396 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.571 |
| InChI Key: | QFWSZYSZPRKMMI-UHFFFAOYSA-N |