6-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-{[(2-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-{[(2-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-{[(2-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-4122 |
| Compound Name: | 6-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-{[(2-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 555.84 |
| Molecular Formula: | C24 H16 Br Cl N4 O3 S |
| Smiles: | C1Oc2cc(C3Nc4ccccc4c4c(nc(nn4)SCc4ccccc4[Cl])O3)c(cc2O1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1231 |
| logD: | 6.1231 |
| logSw: | -6.2797 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.141 |
| InChI Key: | OOSFMCJFXJIXOX-QFIPXVFZSA-N |