1-[3-(propylsulfanyl)-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(propylsulfanyl)-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[3-(propylsulfanyl)-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 4896-4093 |
| Compound Name: | 1-[3-(propylsulfanyl)-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 482.56 |
| Molecular Formula: | C24 H26 N4 O5 S |
| Smiles: | CCCSc1nc2c(c3ccccc3N(C(c3cc(c(c(c3)OC)OC)OC)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6195 |
| logD: | 3.6195 |
| logSw: | -3.819 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.617 |
| InChI Key: | WFMBUNNOPNLDRL-QHCPKHFHSA-N |