6-(1-phenylprop-1-en-2-yl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(1-phenylprop-1-en-2-yl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(1-phenylprop-1-en-2-yl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 8008-4418 |
| Compound Name: | 6-(1-phenylprop-1-en-2-yl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 390.51 |
| Molecular Formula: | C22 H22 N4 O S |
| Smiles: | CCCSc1nc2c(c3ccccc3NC(C(\C)=C\c3ccccc3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3785 |
| logD: | 5.3785 |
| logSw: | -5.5761 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.297 |
| InChI Key: | GXULNDKHKCZHAB-FQEVSTJZSA-N |