1-{3-[(2-methylpropyl)sulfanyl]-6-[4-(trifluoromethyl)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-(trifluoromethyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
1-{3-[(2-methylpropyl)sulfanyl]-6-[4-(trifluoromethyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
Compound characteristics
| Compound ID: | F579-0708 |
| Compound Name: | 1-{3-[(2-methylpropyl)sulfanyl]-6-[4-(trifluoromethyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one |
| Molecular Weight: | 488.53 |
| Molecular Formula: | C24 H23 F3 N4 O2 S |
| Smiles: | [H]c1ccc2c(c1)c1c(nc(nn1)SCC(C)C)OC(c1ccc(cc1)C(F)(F)F)N2C(CC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8119 |
| logD: | 5.8119 |
| logSw: | -5.5837 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.644 |
| InChI Key: | JVTQPQPOPNASGH-QFIPXVFZSA-N |