6-[2-(furan-2-yl)ethenyl]-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-[2-(furan-2-yl)ethenyl]-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-[2-(furan-2-yl)ethenyl]-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-5253 |
| Compound Name: | 6-[2-(furan-2-yl)ethenyl]-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C22 H24 N4 O2 S |
| Smiles: | CCCCCCSc1nc2c(c3ccccc3NC(/C=C/c3ccco3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8556 |
| logD: | 5.8556 |
| logSw: | -5.5036 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.394 |
| InChI Key: | IPOYLCFYDPZNOI-IBGZPJMESA-N |