1-[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-[3-(ethylsulfanyl)-6-(4-propoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
1-[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: | F579-0272 |
| Compound Name: | 1-[3-(ethylsulfanyl)-6-(4-propoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one |
| Molecular Weight: | 464.59 |
| Molecular Formula: | C25 H28 N4 O3 S |
| Smiles: | [H]c1ccc2c(c1)c1c(nc(nn1)SCC)OC(c1ccc(cc1)OCCC)N2C(CCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7071 |
| logD: | 5.7071 |
| logSw: | -5.4907 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.062 |
| InChI Key: | RMPQMFDDCWKXEC-DEOSSOPVSA-N |