1-[6-(3,4-dimethylphenyl)-3-(ethylsulfanyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(3,4-dimethylphenyl)-3-(ethylsulfanyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(3,4-dimethylphenyl)-3-(ethylsulfanyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
Compound ID: | F579-2246 |
Compound Name: | 1-[6-(3,4-dimethylphenyl)-3-(ethylsulfanyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
Molecular Weight: | 434.56 |
Molecular Formula: | C24 H26 N4 O2 S |
Smiles: | CCSc1nc2c(c3cc(C)cc(C)c3N(C(c3ccc(C)c(C)c3)O2)C(C)=O)nn1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.8566 |
logD: | 5.8566 |
logSw: | -5.4853 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 55.796 |
InChI Key: | HJGWQSZSEOHDKL-QHCPKHFHSA-N |