1-[3-(methylsulfanyl)-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(methylsulfanyl)-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[3-(methylsulfanyl)-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 4896-3675 |
| Compound Name: | 1-[3-(methylsulfanyl)-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 454.5 |
| Molecular Formula: | C22 H22 N4 O5 S |
| Smiles: | CC(N1C(c2cc(c(c(c2)OC)OC)OC)Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.886 |
| logD: | 2.886 |
| logSw: | -3.519 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.617 |
| InChI Key: | NWBGRLRWXHKRBX-NRFANRHFSA-N |