6-(4-ethoxy-3-methoxyphenyl)-3-{[(2-fluorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(4-ethoxy-3-methoxyphenyl)-3-{[(2-fluorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(4-ethoxy-3-methoxyphenyl)-3-{[(2-fluorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3753 |
| Compound Name: | 6-(4-ethoxy-3-methoxyphenyl)-3-{[(2-fluorophenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 490.56 |
| Molecular Formula: | C26 H23 F N4 O3 S |
| Smiles: | CCOc1ccc(cc1OC)C1Nc2ccccc2c2c(nc(nn2)SCc2ccccc2F)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3774 |
| logD: | 5.3774 |
| logSw: | -5.5181 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.867 |
| InChI Key: | XUSZVRWMLWWFEJ-DEOSSOPVSA-N |