1-[6-(3-chlorophenyl)-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-(3-chlorophenyl)-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-(3-chlorophenyl)-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: | F579-2404 |
| Compound Name: | 1-[6-(3-chlorophenyl)-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: | 469 |
| Molecular Formula: | C24 H25 Cl N4 O2 S |
| Smiles: | CC(C)CSc1nc2c(c3cc(C)cc(C)c3N(C(c3cccc(c3)[Cl])O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1884 |
| logD: | 6.1884 |
| logSw: | -6.0661 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.796 |
| InChI Key: | RNDXFAAEHHAJFU-QHCPKHFHSA-N |