1-[10-ethyl-6-(4-fluorophenyl)-3-[(3-methylbutyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[10-ethyl-6-(4-fluorophenyl)-3-[(3-methylbutyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[10-ethyl-6-(4-fluorophenyl)-3-[(3-methylbutyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-4220 |
| Compound Name: | 1-[10-ethyl-6-(4-fluorophenyl)-3-[(3-methylbutyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 466.58 |
| Molecular Formula: | C25 H27 F N4 O2 S |
| Smiles: | CCc1ccc2c(c1)c1c(nc(nn1)SCCC(C)C)OC(c1ccc(cc1)F)N2C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7232 |
| logD: | 5.7232 |
| logSw: | -5.4785 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.639 |
| InChI Key: | ICBYGVMFGHRFMS-DEOSSOPVSA-N |