1-[3-(butylsulfanyl)-6-(4-ethoxy-3-methoxyphenyl)-10-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(butylsulfanyl)-6-(4-ethoxy-3-methoxyphenyl)-10-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[3-(butylsulfanyl)-6-(4-ethoxy-3-methoxyphenyl)-10-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-0975 |
| Compound Name: | 1-[3-(butylsulfanyl)-6-(4-ethoxy-3-methoxyphenyl)-10-methyl[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)ccc3N(C(c3ccc(c(c3)OC)OCC)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0748 |
| logD: | 5.0748 |
| logSw: | -4.8251 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.48 |
| InChI Key: | MXZOWTBHBBNDCZ-VWLOTQADSA-N |