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)-N-(3-fluoro-4-methylphenyl)acetamide
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)-N-(3-fluoro-4-methylphenyl)acetamide
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)-N-(3-fluoro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C445-0296 |
| 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)-N-(3-fluoro-4-methylphenyl)acetamide |
| Molecular Weight: | 549.63 |
| Molecular Formula: | C27 H28 F N7 O3 S |
| Smiles: | Cc1ccc(cc1F)NC(CSc1nc2cc(c(cc2c2nc(CCn3c(C)cc(C)n3)nn12)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7144 |
| logD: | 3.5972 |
| logSw: | -3.9332 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.183 |
| InChI Key: | KELLOXZREAQEQP-UHFFFAOYSA-N |