[10-bromo-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](phenyl)methanone
Chemical Structure Depiction of
[10-bromo-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](phenyl)methanone
[10-bromo-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](phenyl)methanone
Compound characteristics
| Compound ID: | 4896-3918 |
| Compound Name: | [10-bromo-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](phenyl)methanone |
| Molecular Weight: | 471.37 |
| Molecular Formula: | C21 H19 Br N4 O2 S |
| Smiles: | CCCCSc1nc2c(c3cc(ccc3NC(C(c3ccccc3)=O)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4392 |
| logD: | 5.4389 |
| logSw: | -5.2823 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.036 |
| InChI Key: | PHEABIRXFRAIAF-HXUWFJFHSA-N |