6-(furan-2-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(furan-2-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(furan-2-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-2979 |
| Compound Name: | 6-(furan-2-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 368.46 |
| Molecular Formula: | C19 H20 N4 O2 S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3NC(c3ccco3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8979 |
| logD: | 4.8979 |
| logSw: | -4.6954 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.876 |
| InChI Key: | BJBRYKMJIGYZQQ-KRWDZBQOSA-N |