1-[6-(3,4-diethoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(3,4-diethoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(3,4-diethoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 4896-3760 |
| Compound Name: | 1-[6-(3,4-diethoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C24 H26 N4 O4 S |
| Smiles: | CCOc1ccc(cc1OCC)C1N(C(C)=O)c2ccccc2c2c(nc(nn2)SCC)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7102 |
| logD: | 3.7102 |
| logSw: | -3.9881 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.06 |
| InChI Key: | OSRNBBNQFYOTPF-QHCPKHFHSA-N |