1-[3-(methylsulfanyl)-6-(5-methylthiophen-2-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-(5-methylthiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
1-[3-(methylsulfanyl)-6-(5-methylthiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Compound characteristics
| Compound ID: | 6188-0318 |
| Compound Name: | 1-[3-(methylsulfanyl)-6-(5-methylthiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C20 H20 N4 O2 S2 |
| Smiles: | CCCC(N1C(c2ccc(C)s2)Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6497 |
| logD: | 4.6497 |
| logSw: | -4.5614 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.662 |
| InChI Key: | DVTQQJZQDFEKQV-IBGZPJMESA-N |