6-(4-fluorophenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(4-fluorophenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(4-fluorophenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-2618 |
| Compound Name: | 6-(4-fluorophenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C21 H21 F N4 O S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3NC(c3ccc(cc3)F)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7564 |
| logD: | 5.7564 |
| logSw: | -5.5696 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.297 |
| InChI Key: | UWRIBOJLSYNFIF-IBGZPJMESA-N |