6-(2H-1,3-benzodioxol-5-yl)-3-{[(4-chlorophenyl)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-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(2H-1,3-benzodioxol-5-yl)-3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-4487 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-3-{[(4-chlorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 476.94 |
| Molecular Formula: | C24 H17 Cl N4 O3 S |
| Smiles: | C1Oc2ccc(cc2O1)C1Nc2ccccc2c2c(nc(nn2)SCc2ccc(cc2)[Cl])O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3605 |
| logD: | 5.3605 |
| logSw: | -6.1839 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.141 |
| InChI Key: | MJDFSZAOSDSUHQ-QFIPXVFZSA-N |