6-(2H-1,3-benzodioxol-5-yl)-3-{[(2-fluorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(2H-1,3-benzodioxol-5-yl)-3-{[(2-fluorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(2H-1,3-benzodioxol-5-yl)-3-{[(2-fluorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6188-0103 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-3-{[(2-fluorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 460.49 |
| Molecular Formula: | C24 H17 F N4 O3 S |
| Smiles: | C1Oc2ccc(cc2O1)C1Nc2ccccc2c2c(nc(nn2)SCc2ccccc2F)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.33 |
| logD: | 5.33 |
| logSw: | -5.7655 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.141 |
| InChI Key: | UJTHSXIGPAVCMS-QFIPXVFZSA-N |