6-(3,5-dibromo-2-ethoxyphenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(3,5-dibromo-2-ethoxyphenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(3,5-dibromo-2-ethoxyphenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | Y508-2412 |
| Compound Name: | 6-(3,5-dibromo-2-ethoxyphenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 580.34 |
| Molecular Formula: | C23 H24 Br2 N4 O2 S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3NC(c3cc(cc(c3OCC)[Br])[Br])O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.7987 |
| logD: | 7.7987 |
| logSw: | -5.7478 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.594 |
| InChI Key: | WCFNHNNCCHYMAH-NRFANRHFSA-N |