4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenol
Chemical Structure Depiction of
4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenol
4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenol
Compound characteristics
| Compound ID: | 2049-1838 |
| Compound Name: | 4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenol |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C22 H24 N4 O4 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3cc(c(c(c3)OC)O)OC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0497 |
| logD: | 4.0397 |
| logSw: | -4.029 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.037 |
| InChI Key: | IVRNLXCFEPCVLV-FQEVSTJZSA-N |