2,6-dibromo-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl 4-nitrobenzoate
Chemical Structure Depiction of
2,6-dibromo-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl 4-nitrobenzoate
2,6-dibromo-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 1348-1619 |
| Compound Name: | 2,6-dibromo-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl 4-nitrobenzoate |
| Molecular Weight: | 645.28 |
| Molecular Formula: | C24 H15 Br2 N5 O5 S |
| Smiles: | [H]N1C(c2cc(c(c(c2)[Br])OC(c2ccc(cc2)[N+]([O-])=O)=O)[Br])Oc2c(c3ccccc13)nnc(n2)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9502 |
| logD: | 5.9502 |
| logSw: | -5.597 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.23 |
| InChI Key: | RJTRBJMUNAJNLN-NRFANRHFSA-N |