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-(4-fluorophenyl)butanamide
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-(4-fluorophenyl)butanamide
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-(4-fluorophenyl)butanamide
Compound characteristics
| Compound ID: | C445-0295 |
| 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-(4-fluorophenyl)butanamide |
| Molecular Weight: | 563.65 |
| Molecular Formula: | C28 H30 F N7 O3 S |
| Smiles: | CCC(C(Nc1ccc(cc1)F)=O)Sc1nc2cc(c(cc2c2nc(CCn3c(C)cc(C)n3)nn12)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0428 |
| logD: | 3.8806 |
| logSw: | -4.0065 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.396 |
| InChI Key: | IOXKFHINTCADHD-DEOSSOPVSA-N |