1-[3-(butylsulfanyl)-6-(2,3-dimethoxyphenyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(butylsulfanyl)-6-(2,3-dimethoxyphenyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[3-(butylsulfanyl)-6-(2,3-dimethoxyphenyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-2176 |
| Compound Name: | 1-[3-(butylsulfanyl)-6-(2,3-dimethoxyphenyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 494.61 |
| Molecular Formula: | C26 H30 N4 O4 S |
| Smiles: | CCCCSc1nc2c(c3cc(C)cc(C)c3N(C(c3cccc(c3OC)OC)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6741 |
| logD: | 5.6741 |
| logSw: | -5.325 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.144 |
| InChI Key: | XJKFJDHRMMGDOZ-VWLOTQADSA-N |