N-(2H-1,3-benzodioxol-5-yl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide
N-(2H-1,3-benzodioxol-5-yl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide
Compound characteristics
| Compound ID: | K280-0369 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide |
| Molecular Weight: | 529.62 |
| Molecular Formula: | C27 H27 N7 O3 S |
| Smiles: | CCC(C(Nc1ccc2c(c1)OCO2)=O)Sc1nc2ccccc2c2nc(CCn3c(C)cc(C)n3)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1586 |
| logD: | 4.0169 |
| logSw: | -4.0702 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.251 |
| InChI Key: | LGTYJUDCZPPXDQ-QHCPKHFHSA-N |