6-[2-(furan-2-yl)ethenyl]-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-[2-(furan-2-yl)ethenyl]-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-[2-(furan-2-yl)ethenyl]-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-2481 |
| Compound Name: | 6-[2-(furan-2-yl)ethenyl]-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 366.44 |
| Molecular Formula: | C19 H18 N4 O2 S |
| Smiles: | CCCSc1nc2c(c3ccccc3NC(/C=C/c3ccco3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9948 |
| logD: | 3.9948 |
| logSw: | -4.1815 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.394 |
| InChI Key: | WZVPMXMJUNPCPQ-INIZCTEOSA-N |