1-[3-(methylsulfanyl)-6-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Chemical Structure Depiction of
1-[3-(methylsulfanyl)-6-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
1-[3-(methylsulfanyl)-6-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Compound characteristics
| Compound ID: | 4896-4985 |
| Compound Name: | 1-[3-(methylsulfanyl)-6-{4-[(prop-2-en-1-yl)oxy]phenyl}[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C24 H24 N4 O3 S |
| Smiles: | CCCC(N1C(c2ccc(cc2)OCC=C)Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8806 |
| logD: | 4.8806 |
| logSw: | -4.6291 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.062 |
| InChI Key: | VNQNZAZPMBQKNI-QHCPKHFHSA-N |