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)-1-phenylethan-1-one
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)-1-phenylethan-1-one
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)-1-phenylethan-1-one
Compound characteristics
| Compound ID: | C445-0229 |
| 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)-1-phenylethan-1-one |
| Molecular Weight: | 502.59 |
| Molecular Formula: | C26 H26 N6 O3 S |
| Smiles: | Cc1cc(C)n(CCc2nc3c4cc(c(cc4nc(n3n2)SCC(c2ccccc2)=O)OC)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.0868 |
| logD: | 2.9697 |
| logSw: | -3.2463 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.281 |
| InChI Key: | OJZXNZDBVOZUHS-UHFFFAOYSA-N |