1-[6-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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: | F579-2445 | 
| Compound Name: | 1-[6-(4-ethoxyphenyl)-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: | 478.61 | 
| Molecular Formula: | C26 H30 N4 O3 S | 
| Smiles: | CCOc1ccc(cc1)C1N(C(C)=O)c2c(C)cc(C)cc2c2c(nc(nn2)SCC(C)C)O1 | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 5.9849 | 
| logD: | 5.9849 | 
| logSw: | -5.5288 | 
| Hydrogen bond acceptors count: | 8 | 
| Polar surface area: | 62.92 | 
| InChI Key: | FSSFOGAFBQWXTA-VWLOTQADSA-N | 
 
				 
				