1-(4-chlorophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(4-chlorophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
1-(4-chlorophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | K280-0585 |
| Compound Name: | 1-(4-chlorophenyl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 476.99 |
| Molecular Formula: | C24 H21 Cl N6 O S |
| Smiles: | Cc1c(CCc2nc3c4ccccc4nc(n3n2)SCC(c2ccc(cc2)[Cl])=O)c(C)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 4.9806 |
| logD: | 4.4079 |
| logSw: | -5.1336 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.95 |
| InChI Key: | HIFLHTOHHUQLII-UHFFFAOYSA-N |