phenyl[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]methanone
Chemical Structure Depiction of
phenyl[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]methanone
phenyl[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]methanone
Compound characteristics
| Compound ID: | 2040-0275 |
| Compound Name: | phenyl[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]methanone |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C20 H18 N4 O2 S |
| Smiles: | CCCSc1nc2c(c3ccccc3NC(C(c3ccccc3)=O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8198 |
| logD: | 3.8198 |
| logSw: | -3.9152 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.036 |
| InChI Key: | XOBAAWLRHOXZHB-IBGZPJMESA-N |