2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C445-0238 |
| Compound Name: | 2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 585.61 |
| Molecular Formula: | C27 H26 F3 N7 O3 S |
| Smiles: | Cc1cc(C)n(CCc2nc3c4cc(c(cc4nc(n3n2)SCC(Nc2cccc(c2)C(F)(F)F)=O)OC)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.1079 |
| logD: | 3.9904 |
| logSw: | -4.2188 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.183 |
| InChI Key: | PSUQRARSEDGRGC-UHFFFAOYSA-N |