3-[10-bromo-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Chemical Structure Depiction of
3-[10-bromo-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
3-[10-bromo-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Compound characteristics
| Compound ID: | 6753-0666 |
| Compound Name: | 3-[10-bromo-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol |
| Molecular Weight: | 473.39 |
| Molecular Formula: | C21 H21 Br N4 O2 S |
| Smiles: | CCCCCSc1nc2c(c3cc(ccc3NC(c3cccc(c3)O)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1949 |
| logD: | 6.1794 |
| logSw: | -5.2638 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.914 |
| InChI Key: | DCBAFGVKZGDPJW-LJQANCHMSA-N |