1-{3-[(2-methylpropyl)sulfanyl]-6-{4-[(propan-2-yl)oxy]phenyl}[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
Chemical Structure Depiction of
1-{3-[(2-methylpropyl)sulfanyl]-6-{4-[(propan-2-yl)oxy]phenyl}[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
1-{3-[(2-methylpropyl)sulfanyl]-6-{4-[(propan-2-yl)oxy]phenyl}[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
Compound characteristics
| Compound ID: | F579-0755 |
| Compound Name: | 1-{3-[(2-methylpropyl)sulfanyl]-6-{4-[(propan-2-yl)oxy]phenyl}[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one |
| Molecular Weight: | 478.61 |
| Molecular Formula: | C26 H30 N4 O3 S |
| Smiles: | [H]c1ccc2c(c1)c1c(nc(nn1)SCC(C)C)OC(c1ccc(cc1)OC(C)C)N2C(CC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6057 |
| logD: | 5.6057 |
| logSw: | -5.4346 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.446 |
| InChI Key: | YZANOLHKWUUOFC-VWLOTQADSA-N |