3-{[(2-fluorophenyl)methyl]sulfanyl}-6-(4-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-{[(2-fluorophenyl)methyl]sulfanyl}-6-(4-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-{[(2-fluorophenyl)methyl]sulfanyl}-6-(4-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6188-0104 |
| Compound Name: | 3-{[(2-fluorophenyl)methyl]sulfanyl}-6-(4-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 430.5 |
| Molecular Formula: | C24 H19 F N4 O S |
| Smiles: | Cc1ccc(cc1)C1Nc2ccccc2c2c(nc(nn2)SCc2ccccc2F)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.823 |
| logD: | 5.823 |
| logSw: | -5.6948 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.026 |
| InChI Key: | IFGLJVXSSKBMIN-QFIPXVFZSA-N |