6-(3-nitrophenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(3-nitrophenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(3-nitrophenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | Y508-2380 |
| Compound Name: | 6-(3-nitrophenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C21 H21 N5 O3 S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3NC(c3cccc(c3)[N+]([O-])=O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5693 |
| logD: | 5.5693 |
| logSw: | -5.4664 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.679 |
| InChI Key: | DCVMLAITSUBDMJ-IBGZPJMESA-N |