1-[3-(methylsulfanyl)-6-(thiophen-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-(thiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
1-[3-(methylsulfanyl)-6-(thiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Compound characteristics
| Compound ID: | 4896-5065 |
| Compound Name: | 1-[3-(methylsulfanyl)-6-(thiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C19 H18 N4 O2 S2 |
| Smiles: | CCCC(N1C(c2cccs2)Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9412 |
| logD: | 3.9412 |
| logSw: | -4.0302 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.662 |
| InChI Key: | VJTATNOPIPTWQF-SFHVURJKSA-N |