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 |