3-(benzylsulfanyl)-6-[2-(furan-2-yl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(benzylsulfanyl)-6-[2-(furan-2-yl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(benzylsulfanyl)-6-[2-(furan-2-yl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3591 |
| Compound Name: | 3-(benzylsulfanyl)-6-[2-(furan-2-yl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C23 H18 N4 O2 S |
| Smiles: | C(c1ccccc1)Sc1nc2c(c3ccccc3NC(/C=C/c3ccco3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4677 |
| logD: | 4.4677 |
| logSw: | -4.5416 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.123 |
| InChI Key: | VLIIFXXABAHUBI-FQEVSTJZSA-N |