1-{6-[4-(benzyloxy)-3-methoxyphenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{6-[4-(benzyloxy)-3-methoxyphenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
1-{6-[4-(benzyloxy)-3-methoxyphenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | 4896-5251 |
| Compound Name: | 1-{6-[4-(benzyloxy)-3-methoxyphenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one |
| Molecular Weight: | 500.58 |
| Molecular Formula: | C27 H24 N4 O4 S |
| Smiles: | CC(N1C(c2ccc(c(c2)OC)OCc2ccccc2)Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3597 |
| logD: | 4.3597 |
| logSw: | -4.6903 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.584 |
| InChI Key: | TVAROLWCBWQYHW-SANMLTNESA-N |