4-[3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenol
Chemical Structure Depiction of
4-[3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenol
4-[3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenol
Compound characteristics
| Compound ID: | 5617-0769 |
| Compound Name: | 4-[3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenol |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C24 H28 N4 O4 S |
| Smiles: | CCCCCCSc1nc2c(c3ccccc3NC(c3cc(c(c(c3)OC)O)OC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2262 |
| logD: | 5.2163 |
| logSw: | -4.7877 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.037 |
| InChI Key: | DAYBGGQFQKWFPN-QFIPXVFZSA-N |