1-[3-(ethylsulfanyl)-6-(pyridin-4-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(ethylsulfanyl)-6-(pyridin-4-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[3-(ethylsulfanyl)-6-(pyridin-4-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-0299 |
| Compound Name: | 1-[3-(ethylsulfanyl)-6-(pyridin-4-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 379.44 |
| Molecular Formula: | C19 H17 N5 O2 S |
| Smiles: | [H]c1ccc2c(c1)c1c(nc(nn1)SCC)OC(c1ccncc1)N2C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4291 |
| logD: | 2.4291 |
| logSw: | -2.6392 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.067 |
| InChI Key: | ADDAPUYDROBQHH-SFHVURJKSA-N |