4-[({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]benzonitrile
Chemical Structure Depiction of
4-[({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]benzonitrile
4-[({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]benzonitrile
Compound characteristics
| Compound ID: | C445-0328 |
| Compound Name: | 4-[({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]benzonitrile |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C26 H25 N7 O2 S |
| Smiles: | Cc1cc(C)n(CCc2nc3c4cc(c(cc4nc(n3n2)SCc2ccc(C#N)cc2)OC)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.0436 |
| logD: | 2.8015 |
| logSw: | -2.9922 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 77.09 |
| InChI Key: | ZJAWHBGYPUJQKM-UHFFFAOYSA-N |