N-(2,6-dimethylphenyl)-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)acetamide
Chemical Structure Depiction of
N-(2,6-dimethylphenyl)-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)acetamide
N-(2,6-dimethylphenyl)-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)acetamide
Compound characteristics
| Compound ID: | C445-0293 |
| Compound Name: | N-(2,6-dimethylphenyl)-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)acetamide |
| Molecular Weight: | 545.66 |
| Molecular Formula: | C28 H31 N7 O3 S |
| Smiles: | Cc1cccc(C)c1NC(CSc1nc2cc(c(cc2c2nc(CCn3c(C)cc(C)n3)nn12)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2493 |
| logD: | 3.1323 |
| logSw: | -3.2169 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.787 |
| InChI Key: | MEEXBUYLZFAUNH-UHFFFAOYSA-N |