4-[(3,4-diethoxyphenyl)methyl]-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-[(3,4-diethoxyphenyl)methyl]-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-[(3,4-diethoxyphenyl)methyl]-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | C200-7228 |
| Compound Name: | 4-[(3,4-diethoxyphenyl)methyl]-1-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 560.62 |
| Molecular Formula: | C26 H23 F3 N4 O3 S2 |
| Smiles: | CCOc1ccc(CN2C(c3c(ccs3)n3c2nnc3SCc2cccc(c2)C(F)(F)F)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 5.5306 |
| logD: | 5.5306 |
| logSw: | -5.4921 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.751 |
| InChI Key: | QQYHVSGXYCKVIF-UHFFFAOYSA-N |