3-(ethylsulfanyl)-6-[5-(4-fluorophenyl)furan-2-yl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(ethylsulfanyl)-6-[5-(4-fluorophenyl)furan-2-yl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(ethylsulfanyl)-6-[5-(4-fluorophenyl)furan-2-yl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3419 |
| Compound Name: | 3-(ethylsulfanyl)-6-[5-(4-fluorophenyl)furan-2-yl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 420.46 |
| Molecular Formula: | C22 H17 F N4 O2 S |
| Smiles: | CCSc1nc2c(c3ccccc3NC(c3ccc(c4ccc(cc4)F)o3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.228 |
| logD: | 5.228 |
| logSw: | -5.0715 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.697 |
| InChI Key: | XLWIZQYDARVREK-FQEVSTJZSA-N |