1-[3-(ethylsulfanyl)-6-(3-methoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(ethylsulfanyl)-6-(3-methoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[3-(ethylsulfanyl)-6-(3-methoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
Compound ID: | 5704-0210 |
Compound Name: | 1-[3-(ethylsulfanyl)-6-(3-methoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
Molecular Weight: | 408.48 |
Molecular Formula: | C21 H20 N4 O3 S |
Smiles: | CCSc1nc2c(c3ccccc3N(C(c3cccc(c3)OC)O2)C(C)=O)nn1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.5766 |
logD: | 3.5766 |
logSw: | -3.8834 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 62.183 |
InChI Key: | CSUUFUBVDNZTJZ-FQEVSTJZSA-N |