4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzene-1,2-diol
					Chemical Structure Depiction of
4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzene-1,2-diol
			4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzene-1,2-diol
Compound characteristics
| Compound ID: | 4896-2607 | 
| Compound Name: | 4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzene-1,2-diol | 
| Molecular Weight: | 410.49 | 
| Molecular Formula: | C21 H22 N4 O3 S | 
| Smiles: | CCCCCSc1nc2c(c3ccccc3NC(c3ccc(c(c3)O)O)O2)nn1 | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 4.6504 | 
| logD: | 4.6171 | 
| logSw: | -4.1758 | 
| Hydrogen bond acceptors count: | 7 | 
| Hydrogen bond donors count: | 3 | 
| Polar surface area: | 85.394 | 
| InChI Key: | RRVDATUJLSBQRY-IBGZPJMESA-N | 
 
				 
				