ethyl {4-[7-acetyl-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-ethoxyphenoxy}acetate
Chemical Structure Depiction of
ethyl {4-[7-acetyl-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-ethoxyphenoxy}acetate
ethyl {4-[7-acetyl-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-ethoxyphenoxy}acetate
Compound characteristics
| Compound ID: | 4896-3835 |
| Compound Name: | ethyl {4-[7-acetyl-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-ethoxyphenoxy}acetate |
| Molecular Weight: | 538.62 |
| Molecular Formula: | C27 H30 N4 O6 S |
| Smiles: | CCCSc1nc2c(c3ccccc3N(C(c3ccc(c(c3)OCC)OCC(=O)OCC)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5396 |
| logD: | 3.5396 |
| logSw: | -3.821 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.594 |
| InChI Key: | CKQOARIQRMOJNR-SANMLTNESA-N |