methyl 5-({[4-cyano-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]sulfanyl}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({[4-cyano-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]sulfanyl}methyl)furan-2-carboxylate
methyl 5-({[4-cyano-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]sulfanyl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | Y500-6656 |
| Compound Name: | methyl 5-({[4-cyano-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl]sulfanyl}methyl)furan-2-carboxylate |
| Molecular Weight: | 382.36 |
| Molecular Formula: | C17 H13 F3 N2 O3 S |
| Smiles: | COC(c1ccc(CSc2c(C#N)c3CCCc3c(C(F)(F)F)n2)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4052 |
| logD: | 4.4052 |
| logSw: | -4.5473 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.843 |
| InChI Key: | ATBWDYOAJMTKRZ-UHFFFAOYSA-N |