10-bromo-3-(methylsulfanyl)-6-(3-phenoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
10-bromo-3-(methylsulfanyl)-6-(3-phenoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
10-bromo-3-(methylsulfanyl)-6-(3-phenoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 5704-0041 |
| Compound Name: | 10-bromo-3-(methylsulfanyl)-6-(3-phenoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 493.38 |
| Molecular Formula: | C23 H17 Br N4 O2 S |
| Smiles: | CSc1nc2c(c3cc(ccc3NC(c3cccc(c3)Oc3ccccc3)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1765 |
| logD: | 6.1765 |
| logSw: | -5.7674 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.045 |
| InChI Key: | SLBDVCRJORDEGT-OAQYLSRUSA-N |