3-(methylsulfanyl)-6-(1-phenylprop-1-en-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(methylsulfanyl)-6-(1-phenylprop-1-en-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(methylsulfanyl)-6-(1-phenylprop-1-en-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
Compound ID: | 4896-0175 |
Compound Name: | 3-(methylsulfanyl)-6-(1-phenylprop-1-en-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
Molecular Weight: | 362.45 |
Molecular Formula: | C20 H18 N4 O S |
Smiles: | C/C(=C\c1ccccc1)C1Nc2ccccc2c2c(nc(nn2)SC)O1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.645 |
logD: | 4.645 |
logSw: | -4.5845 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.297 |
InChI Key: | HXXAYZRSGASZRN-SFHVURJKSA-N |