{2-[10-bromo-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetic acid
Chemical Structure Depiction of
{2-[10-bromo-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetic acid
{2-[10-bromo-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetic acid
Compound characteristics
| Compound ID: | 4896-3907 |
| Compound Name: | {2-[10-bromo-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetic acid |
| Molecular Weight: | 517.4 |
| Molecular Formula: | C22 H21 Br N4 O4 S |
| Smiles: | CCCCSc1nc2c(c3cc(ccc3NC(c3ccccc3OCC(O)=O)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5644 |
| logD: | 1.3275 |
| logSw: | -5.1378 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.267 |
| InChI Key: | PPMHYAISEZHYCY-HXUWFJFHSA-N |