1-[3-(butylsulfanyl)-6-(4-fluorophenyl)-10-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
					Chemical Structure Depiction of
1-[3-(butylsulfanyl)-6-(4-fluorophenyl)-10-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
			1-[3-(butylsulfanyl)-6-(4-fluorophenyl)-10-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-0980 | 
| Compound Name: | 1-[3-(butylsulfanyl)-6-(4-fluorophenyl)-10-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one | 
| Molecular Weight: | 438.52 | 
| Molecular Formula: | C23 H23 F N4 O2 S | 
| Smiles: | CCCCSc1nc2c(c3cc(C)ccc3N(C(c3ccc(cc3)F)O2)C(C)=O)nn1 | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 5.1261 | 
| logD: | 5.1261 | 
| logSw: | -5.0443 | 
| Hydrogen bond acceptors count: | 7 | 
| Polar surface area: | 54.639 | 
| InChI Key: | HIUPITKOQDHFHY-QFIPXVFZSA-N | 
 
				 
				