4-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenyl acetate
Chemical Structure Depiction of
4-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenyl acetate
4-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenyl acetate
Compound characteristics
| Compound ID: | 4896-3878 |
| Compound Name: | 4-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenyl acetate |
| Molecular Weight: | 524.6 |
| Molecular Formula: | C26 H28 N4 O6 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3N(C(c3cc(c(c(c3)OC)OC(C)=O)OC)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0082 |
| logD: | 4.0082 |
| logSw: | -4.2846 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 90.824 |
| InChI Key: | FIGVMYUKTXWCAJ-VWLOTQADSA-N |