1-[10-chloro-6-(2,3-difluorophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Chemical Structure Depiction of
1-[10-chloro-6-(2,3-difluorophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
1-[10-chloro-6-(2,3-difluorophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Compound characteristics
| Compound ID: | F579-4679 |
| Compound Name: | 1-[10-chloro-6-(2,3-difluorophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one |
| Molecular Weight: | 462.9 |
| Molecular Formula: | C21 H17 Cl F2 N4 O2 S |
| Smiles: | CCCC(N1C(c2cccc(c2F)F)Oc2c(c3cc(ccc13)[Cl])nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4233 |
| logD: | 5.4233 |
| logSw: | -5.8209 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.644 |
| InChI Key: | VHWCDXHGXDDLIW-HXUWFJFHSA-N |