1-[10-chloro-6-(4-ethylphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[10-chloro-6-(4-ethylphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[10-chloro-6-(4-ethylphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-4715 |
| Compound Name: | 1-[10-chloro-6-(4-ethylphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 426.92 |
| Molecular Formula: | C21 H19 Cl N4 O2 S |
| Smiles: | CCc1ccc(cc1)C1N(C(C)=O)c2ccc(cc2c2c(nc(nn2)SC)O1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8843 |
| logD: | 4.8843 |
| logSw: | -4.9554 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.639 |
| InChI Key: | BGRWAUSBHMIDLZ-HXUWFJFHSA-N |