1-[6-(2-fluorophenyl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Chemical Structure Depiction of
1-[6-(2-fluorophenyl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
1-[6-(2-fluorophenyl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Compound characteristics
| Compound ID: | 5511-0081 |
| Compound Name: | 1-[6-(2-fluorophenyl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C22 H21 F N4 O2 S |
| Smiles: | CCCSc1nc2c(c3ccccc3N(C(c3ccccc3F)O2)C(CC)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5825 |
| logD: | 4.5825 |
| logSw: | -4.5796 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.644 |
| InChI Key: | RTCJOKLOMQXODL-NRFANRHFSA-N |