6-[5-(4-fluorophenyl)furan-2-yl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-[5-(4-fluorophenyl)furan-2-yl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-[5-(4-fluorophenyl)furan-2-yl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3269 |
| Compound Name: | 6-[5-(4-fluorophenyl)furan-2-yl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 406.44 |
| Molecular Formula: | C21 H15 F N4 O2 S |
| Smiles: | CSc1nc2c(c3ccccc3NC(c3ccc(c4ccc(cc4)F)o3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8278 |
| logD: | 4.8278 |
| logSw: | -4.6557 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.697 |
| InChI Key: | DGKQTKSIVYHCEU-IBGZPJMESA-N |