ethyl 1-({[4-cyano-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-({[4-cyano-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate
ethyl 1-({[4-cyano-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y501-9767 |
| Compound Name: | ethyl 1-({[4-cyano-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 410.42 |
| Molecular Formula: | C18 H17 F3 N4 O2 S |
| Smiles: | CCOC(c1ccn(CSc2c(C#N)c3CCCCc3c(C(F)(F)F)n2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0036 |
| logD: | 4.0036 |
| logSw: | -4.2095 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.004 |
| InChI Key: | WRJTUAGDCHSYAX-UHFFFAOYSA-N |