[6-(2H-1,3-benzodioxol-5-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl](phenyl)methanone
Chemical Structure Depiction of
[6-(2H-1,3-benzodioxol-5-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl](phenyl)methanone
[6-(2H-1,3-benzodioxol-5-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl](phenyl)methanone
Compound characteristics
| Compound ID: | 4896-5136 |
| Compound Name: | [6-(2H-1,3-benzodioxol-5-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl](phenyl)methanone |
| Molecular Weight: | 470.51 |
| Molecular Formula: | C25 H18 N4 O4 S |
| Smiles: | CSc1nc2c(c3ccccc3N(C(c3ccc4c(c3)OCO4)O2)C(c2ccccc2)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.467 |
| logD: | 4.467 |
| logSw: | -4.4913 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.015 |
| InChI Key: | VZKNKJICCKJHOE-DEOSSOPVSA-N |