2,6-di-tert-butyl-4-[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Chemical Structure Depiction of
2,6-di-tert-butyl-4-[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
2,6-di-tert-butyl-4-[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Compound characteristics
| Compound ID: | 2049-1961 |
| Compound Name: | 2,6-di-tert-butyl-4-[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol |
| Molecular Weight: | 478.66 |
| Molecular Formula: | C27 H34 N4 O2 S |
| Smiles: | CCCSc1nc2c(c3ccccc3NC(c3cc(c(c(c3)C(C)(C)C)O)C(C)(C)C)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8768 |
| logD: | 6.8767 |
| logSw: | -5.6785 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.777 |
| InChI Key: | JNDOCUSDIZIVDR-QHCPKHFHSA-N |