1-[6-(1-acetyl-3-phenyl-1H-pyrazol-4-yl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(1-acetyl-3-phenyl-1H-pyrazol-4-yl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(1-acetyl-3-phenyl-1H-pyrazol-4-yl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 4896-4221 |
| Compound Name: | 1-[6-(1-acetyl-3-phenyl-1H-pyrazol-4-yl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 500.58 |
| Molecular Formula: | C26 H24 N6 O3 S |
| Smiles: | CCCSc1nc2c(c3ccccc3N(C(c3cn(C(C)=O)nc3c3ccccc3)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2683 |
| logD: | 3.2683 |
| logSw: | -3.5876 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.207 |
| InChI Key: | VAAKLEIPLKFIDP-VWLOTQADSA-N |