1-[10-chloro-3-(ethylsulfanyl)-6-(4-propoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Chemical Structure Depiction of
1-[10-chloro-3-(ethylsulfanyl)-6-(4-propoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
1-[10-chloro-3-(ethylsulfanyl)-6-(4-propoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Compound characteristics
| Compound ID: | F579-4504 |
| Compound Name: | 1-[10-chloro-3-(ethylsulfanyl)-6-(4-propoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one |
| Molecular Weight: | 499.03 |
| Molecular Formula: | C25 H27 Cl N4 O3 S |
| Smiles: | CCCC(N1C(c2ccc(cc2)OCCC)Oc2c(c3cc(ccc13)[Cl])nnc(n2)SCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4741 |
| logD: | 6.4741 |
| logSw: | -6.2998 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.062 |
| InChI Key: | GPDZUNTXLAZEMV-XMMPIXPASA-N |