1-[10-chloro-6-(4-ethoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Chemical Structure Depiction of
1-[10-chloro-6-(4-ethoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
1-[10-chloro-6-(4-ethoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Compound characteristics
| Compound ID: | F579-4465 |
| Compound Name: | 1-[10-chloro-6-(4-ethoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one |
| Molecular Weight: | 470.98 |
| Molecular Formula: | C23 H23 Cl N4 O3 S |
| Smiles: | CCC(N1C(c2ccc(cc2)OCC)Oc2c(c3cc(ccc13)[Cl])nnc(n2)SCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2797 |
| logD: | 5.2797 |
| logSw: | -5.8255 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.767 |
| InChI Key: | JCDWKJGNQVHTOP-JOCHJYFZSA-N |