1-[6-(2-chloro-6-fluorophenyl)-8,10-dimethyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(2-chloro-6-fluorophenyl)-8,10-dimethyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(2-chloro-6-fluorophenyl)-8,10-dimethyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-2414 |
| Compound Name: | 1-[6-(2-chloro-6-fluorophenyl)-8,10-dimethyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 486.99 |
| Molecular Formula: | C24 H24 Cl F N4 O2 S |
| Smiles: | CC(C)CSc1nc2c(c3cc(C)cc(C)c3N(C(c3c(cccc3[Cl])F)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9629 |
| logD: | 5.9629 |
| logSw: | -6.0087 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.796 |
| InChI Key: | RNDROLCTDYHLTG-QHCPKHFHSA-N |