1-[10-ethyl-6-(4-fluorophenyl)-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Chemical Structure Depiction of
1-[10-ethyl-6-(4-fluorophenyl)-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
1-[10-ethyl-6-(4-fluorophenyl)-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Compound characteristics
| Compound ID: | F579-2889 |
| Compound Name: | 1-[10-ethyl-6-(4-fluorophenyl)-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one |
| Molecular Weight: | 480.6 |
| Molecular Formula: | C26 H29 F N4 O2 S |
| Smiles: | CCCC(N1C(c2ccc(cc2)F)Oc2c(c3cc(CC)ccc13)nnc(n2)SCC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.607 |
| logD: | 6.607 |
| logSw: | -5.7365 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.644 |
| InChI Key: | HSANAWABEPJQDL-VWLOTQADSA-N |