1-[6-(2-chlorophenyl)-10-fluoro-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Chemical Structure Depiction of
1-[6-(2-chlorophenyl)-10-fluoro-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
1-[6-(2-chlorophenyl)-10-fluoro-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Compound characteristics
| Compound ID: | F579-3614 |
| Compound Name: | 1-[6-(2-chlorophenyl)-10-fluoro-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one |
| Molecular Weight: | 444.91 |
| Molecular Formula: | C21 H18 Cl F N4 O2 S |
| Smiles: | CCCC(N1C(c2ccccc2[Cl])Oc2c(c3cc(ccc13)F)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2059 |
| logD: | 5.2059 |
| logSw: | -5.4936 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.644 |
| InChI Key: | FVMDBFIEFVWVSI-FQEVSTJZSA-N |