1-[3-(butylsulfanyl)-8,10-dimethyl-6-phenyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
					Chemical Structure Depiction of
1-[3-(butylsulfanyl)-8,10-dimethyl-6-phenyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
			1-[3-(butylsulfanyl)-8,10-dimethyl-6-phenyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Compound characteristics
| Compound ID: | F579-1733 | 
| Compound Name: | 1-[3-(butylsulfanyl)-8,10-dimethyl-6-phenyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one | 
| Molecular Weight: | 448.59 | 
| Molecular Formula: | C25 H28 N4 O2 S | 
| Smiles: | CCCCSc1nc2c(c3cc(C)cc(C)c3N(C(c3ccccc3)O2)C(CC)=O)nn1 | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 6.3991 | 
| logD: | 6.3991 | 
| logSw: | -5.5865 | 
| Hydrogen bond acceptors count: | 7 | 
| Polar surface area: | 54.801 | 
| InChI Key: | UFLKSIKQPRBSRO-DEOSSOPVSA-N | 
 
				 
				