2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(4-fluorophenyl)butanamide
Chemical Structure Depiction of
2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(4-fluorophenyl)butanamide
2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(4-fluorophenyl)butanamide
Compound characteristics
| Compound ID: | K280-0469 |
| Compound Name: | 2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(4-fluorophenyl)butanamide |
| Molecular Weight: | 503.6 |
| Molecular Formula: | C26 H26 F N7 O S |
| Smiles: | CCC(C(Nc1ccc(cc1)F)=O)Sc1nc2ccccc2c2nc(CCn3c(C)cc(C)n3)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3545 |
| logD: | 4.2126 |
| logSw: | -4.1836 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.136 |
| InChI Key: | VXMLYJXGAJVNNO-QFIPXVFZSA-N |