methyl 2-[3-(trifluoromethyl)benzamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[3-(trifluoromethyl)benzamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-[3-(trifluoromethyl)benzamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
Compound ID: | 8009-5548 |
Compound Name: | methyl 2-[3-(trifluoromethyl)benzamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
Molecular Weight: | 411.44 |
Molecular Formula: | C20 H20 F3 N O3 S |
Smiles: | COC(c1c2CCCCCCc2sc1NC(c1cccc(c1)C(F)(F)F)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.5525 |
logD: | 1.3797 |
logSw: | -5.5657 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.549 |
InChI Key: | HOHVSUTYABGLIK-UHFFFAOYSA-N |