1-[6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 4896-4249 |
| Compound Name: | 1-[6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 535.07 |
| Molecular Formula: | C27 H27 Cl N6 O2 S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3N(C(c3c(C)nn(c4ccccc4)c3[Cl])O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6629 |
| logD: | 5.6629 |
| logSw: | -5.7412 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.439 |
| InChI Key: | LOQNCNPNYIMYGC-SANMLTNESA-N |