1-[3-(butylsulfanyl)-6-(2,4,5-trimethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(butylsulfanyl)-6-(2,4,5-trimethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[3-(butylsulfanyl)-6-(2,4,5-trimethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 4896-3734 |
| Compound Name: | 1-[3-(butylsulfanyl)-6-(2,4,5-trimethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C25 H28 N4 O5 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3N(C(c3cc(c(cc3OC)OC)OC)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0256 |
| logD: | 4.0256 |
| logSw: | -4.2282 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.53 |
| InChI Key: | ZSGHZTLNLIWZMN-DEOSSOPVSA-N |