1-[3-(ethylsulfanyl)-6-(3-methoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Chemical Structure Depiction of
1-[3-(ethylsulfanyl)-6-(3-methoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
1-[3-(ethylsulfanyl)-6-(3-methoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Compound characteristics
Compound ID: | 4896-4617 |
Compound Name: | 1-[3-(ethylsulfanyl)-6-(3-methoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one |
Molecular Weight: | 422.5 |
Molecular Formula: | C22 H22 N4 O3 S |
Smiles: | CCC(N1C(c2cccc(c2)OC)Oc2c(c3ccccc13)nnc(n2)SCC)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.1335 |
logD: | 4.1335 |
logSw: | -4.341 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 61.188 |
InChI Key: | LJDLDFNAUIQRMQ-NRFANRHFSA-N |