ethyl 4-{5-[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]furan-2-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{5-[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]furan-2-yl}benzoate
ethyl 4-{5-[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 4896-3798 |
| Compound Name: | ethyl 4-{5-[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]furan-2-yl}benzoate |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C26 H24 N4 O4 S |
| Smiles: | CCCSc1nc2c(c3ccccc3NC(c3ccc(c4ccc(cc4)C(=O)OCC)o3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1336 |
| logD: | 6.1336 |
| logSw: | -5.5554 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.451 |
| InChI Key: | ZHZDEODKOMCCOM-QHCPKHFHSA-N |