3-(butylsulfanyl)-6-[2-(furan-2-yl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(butylsulfanyl)-6-[2-(furan-2-yl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(butylsulfanyl)-6-[2-(furan-2-yl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2049-1797 |
| Compound Name: | 3-(butylsulfanyl)-6-[2-(furan-2-yl)ethenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 380.47 |
| Molecular Formula: | C20 H20 N4 O2 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(/C=C/c3ccco3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.679 |
| logD: | 4.679 |
| logSw: | -4.4902 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.394 |
| InChI Key: | LEJNBVCHXBEIKE-KRWDZBQOSA-N |