1-[6-(3-ethoxy-2-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-(3-ethoxy-2-methoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(3-ethoxy-2-methoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 5511-0277 |
| Compound Name: | 1-[6-(3-ethoxy-2-methoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | CCOc1cccc(C2N(C(C)=O)c3ccccc3c3c(nc(nn3)SC)O2)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5402 |
| logD: | 3.5402 |
| logSw: | -3.8228 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.566 |
| InChI Key: | UAGCHBAIZDSRGX-NRFANRHFSA-N |