1-(3,4-dichlorophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(3,4-dichlorophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
1-(3,4-dichlorophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | K280-0383 |
| Compound Name: | 1-(3,4-dichlorophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 511.43 |
| Molecular Formula: | C24 H20 Cl2 N6 O S |
| Smiles: | Cc1cc(C)n(CCc2nc3c4ccccc4nc(n3n2)SCC(c2ccc(c(c2)[Cl])[Cl])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.0227 |
| logD: | 4.921 |
| logSw: | -5.2184 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.02 |
| InChI Key: | CKJNQTUWYKJYQQ-UHFFFAOYSA-N |