6-(4-bromo-5-iodofuran-2-yl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(4-bromo-5-iodofuran-2-yl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(4-bromo-5-iodofuran-2-yl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2049-1808 |
| Compound Name: | 6-(4-bromo-5-iodofuran-2-yl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 517.14 |
| Molecular Formula: | C15 H10 Br I N4 O2 S |
| Smiles: | CSc1nc2c(c3ccccc3NC(c3cc(c(o3)I)[Br])O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.329 |
| logD: | 4.329 |
| logSw: | -4.4208 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.391 |
| InChI Key: | VNVBUSLCSZQPFT-ZDUSSCGKSA-N |