1-[3-(methylsulfanyl)-6-(pyridin-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Chemical Structure Depiction of
1-[3-(methylsulfanyl)-6-(pyridin-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
1-[3-(methylsulfanyl)-6-(pyridin-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Compound characteristics
| Compound ID: | 5511-0083 |
| Compound Name: | 1-[3-(methylsulfanyl)-6-(pyridin-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one |
| Molecular Weight: | 393.47 |
| Molecular Formula: | C20 H19 N5 O2 S |
| Smiles: | CCCC(N1C(c2cccnc2)Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1533 |
| logD: | 3.1528 |
| logSw: | -3.3268 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.162 |
| InChI Key: | JNJMEAPDQDNTJH-IBGZPJMESA-N |