1-[6-(4-ethoxyphenyl)-10-methyl-3-[(3-methylbutyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(4-ethoxyphenyl)-10-methyl-3-[(3-methylbutyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(4-ethoxyphenyl)-10-methyl-3-[(3-methylbutyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
Compound ID: | F579-4410 |
Compound Name: | 1-[6-(4-ethoxyphenyl)-10-methyl-3-[(3-methylbutyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
Molecular Weight: | 478.61 |
Molecular Formula: | C26 H30 N4 O3 S |
Smiles: | CCOc1ccc(cc1)C1N(C(C)=O)c2ccc(C)cc2c2c(nc(nn2)SCCC(C)C)O1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.521 |
logD: | 5.521 |
logSw: | -5.4403 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 61.763 |
InChI Key: | UGEZGBDQBLZEHM-VWLOTQADSA-N |