1-[10-chloro-3-(ethylsulfanyl)-6-(pyridin-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Chemical Structure Depiction of
1-[10-chloro-3-(ethylsulfanyl)-6-(pyridin-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
1-[10-chloro-3-(ethylsulfanyl)-6-(pyridin-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Compound characteristics
| Compound ID: | F579-4452 |
| Compound Name: | 1-[10-chloro-3-(ethylsulfanyl)-6-(pyridin-3-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one |
| Molecular Weight: | 427.91 |
| Molecular Formula: | C20 H18 Cl N5 O2 S |
| Smiles: | CCC(N1C(c2cccnc2)Oc2c(c3cc(ccc13)[Cl])nnc(n2)SCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7165 |
| logD: | 3.7161 |
| logSw: | -4.0829 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.162 |
| InChI Key: | FQEAEMBBXOCMRL-IBGZPJMESA-N |