1-[6-(3-ethoxyphenyl)-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(3-ethoxyphenyl)-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(3-ethoxyphenyl)-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 6848-0027 |
| Compound Name: | 1-[6-(3-ethoxyphenyl)-3-(pentylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 464.59 |
| Molecular Formula: | C25 H28 N4 O3 S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3N(C(c3cccc(c3)OCC)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6622 |
| logD: | 5.6622 |
| logSw: | -5.3079 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.763 |
| InChI Key: | ZLRFBQFXALMAKY-DEOSSOPVSA-N |