6-[2-(5-nitrofuran-2-yl)ethenyl]-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-[2-(5-nitrofuran-2-yl)ethenyl]-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-[2-(5-nitrofuran-2-yl)ethenyl]-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2040-0637 |
| Compound Name: | 6-[2-(5-nitrofuran-2-yl)ethenyl]-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 411.44 |
| Molecular Formula: | C19 H17 N5 O4 S |
| Smiles: | CCCSc1nc2c(c3ccccc3NC(/C=C/c3ccc([N+]([O-])=O)o3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8729 |
| logD: | 3.8729 |
| logSw: | -4.0506 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.476 |
| InChI Key: | GVIRNCIBRXILOL-HNNXBMFYSA-N |