N-(5-chloro-2-methylphenyl)-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-(5-chloro-2-methylphenyl)-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-(5-chloro-2-methylphenyl)-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: | C445-0276 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-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: | 566.08 |
| Molecular Formula: | C27 H28 Cl N7 O3 S |
| Smiles: | Cc1ccc(cc1NC(CSc1nc2cc(c(cc2c2nc(CCn3c(C)cc(C)n3)nn12)OC)OC)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5218 |
| logD: | 3.4045 |
| logSw: | -3.948 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.485 |
| InChI Key: | JAQSPWPOSJJQFF-UHFFFAOYSA-N |