6-[2-(furan-2-yl)ethenyl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-[2-(furan-2-yl)ethenyl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-[2-(furan-2-yl)ethenyl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
Compound ID: | 4896-3088 |
Compound Name: | 6-[2-(furan-2-yl)ethenyl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
Molecular Weight: | 394.49 |
Molecular Formula: | C21 H22 N4 O2 S |
Smiles: | CCCCCSc1nc2c(c3ccccc3NC(/C=C/c3ccco3)O2)nn1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.3596 |
logD: | 5.3596 |
logSw: | -5.3327 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.394 |
InChI Key: | HQFJPBBACUBTLC-SFHVURJKSA-N |