4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-nitrophenol
Chemical Structure Depiction of
4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-nitrophenol
4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-nitrophenol
Compound characteristics
| Compound ID: | 4896-2206 |
| Compound Name: | 4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-nitrophenol |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C20 H19 N5 O4 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3ccc(c(c3)[N+]([O-])=O)O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8818 |
| logD: | 4.0957 |
| logSw: | -4.4167 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.926 |
| InChI Key: | IWULLRSECPFSET-SFHVURJKSA-N |