1-[6-(5-methylfuran-2-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(5-methylfuran-2-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(5-methylfuran-2-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 4896-3681 |
| Compound Name: | 1-[6-(5-methylfuran-2-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 368.41 |
| Molecular Formula: | C18 H16 N4 O3 S |
| Smiles: | CC(N1C(c2ccc(C)o2)Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8865 |
| logD: | 2.8865 |
| logSw: | -3.5341 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.731 |
| InChI Key: | KZVOYBKJYVRJPC-KRWDZBQOSA-N |