6-(2H-1,3-benzodioxol-5-yl)-3-{[(4-methylphenyl)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-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(2H-1,3-benzodioxol-5-yl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3925 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C25 H20 N4 O3 S |
| Smiles: | Cc1ccc(CSc2nc3c(c4ccccc4NC(c4ccc5c(c4)OCO5)O3)nn2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1892 |
| logD: | 5.1892 |
| logSw: | -5.0859 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.141 |
| InChI Key: | IQHHRTWOTLABQW-QHCPKHFHSA-N |