1-[6-(2-chloro-6-fluorophenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(2-chloro-6-fluorophenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(2-chloro-6-fluorophenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-0303 |
| Compound Name: | 1-[6-(2-chloro-6-fluorophenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 430.89 |
| Molecular Formula: | C20 H16 Cl F N4 O2 S |
| Smiles: | [H]c1ccc2c(c1)c1c(nc(nn1)SCC)OC(c1c(cccc1[Cl])F)N2C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9339 |
| logD: | 3.9339 |
| logSw: | -4.3484 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.639 |
| InChI Key: | DKXFGKHTDPFQAA-IBGZPJMESA-N |