4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-methyl-1-phenyl-1H-pyrazol-5-ol
					Chemical Structure Depiction of
4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-methyl-1-phenyl-1H-pyrazol-5-ol
			4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-methyl-1-phenyl-1H-pyrazol-5-ol
Compound characteristics
| Compound ID: | 2049-1954 | 
| Compound Name: | 4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-3-methyl-1-phenyl-1H-pyrazol-5-ol | 
| Molecular Weight: | 460.56 | 
| Molecular Formula: | C24 H24 N6 O2 S | 
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3c(C)nn(c4ccccc4)c3O)O2)nn1 | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 4.3553 | 
| logD: | 3.6659 | 
| logSw: | -4.1619 | 
| Hydrogen bond acceptors count: | 7 | 
| Hydrogen bond donors count: | 2 | 
| Polar surface area: | 82.147 | 
| InChI Key: | CXINGIIRSSPNSH-NRFANRHFSA-N | 
 
				 
				