2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-1-(4-fluorophenyl)ethan-1-one
Chemical Structure Depiction of
2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-1-(4-fluorophenyl)ethan-1-one
2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-1-(4-fluorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | K280-0345 |
| Compound Name: | 2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-1-(4-fluorophenyl)ethan-1-one |
| Molecular Weight: | 460.53 |
| Molecular Formula: | C24 H21 F N6 O S |
| Smiles: | Cc1cc(C)n(CCc2nc3c4ccccc4nc(n3n2)SCC(c2ccc(cc2)F)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.5326 |
| logD: | 3.4309 |
| logSw: | -3.8761 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.02 |
| InChI Key: | MYADLQHCEUCXCP-UHFFFAOYSA-N |