3-(butylsulfanyl)-6-(3-nitrophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(butylsulfanyl)-6-(3-nitrophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(butylsulfanyl)-6-(3-nitrophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2050-0058 |
| Compound Name: | 3-(butylsulfanyl)-6-(3-nitrophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 409.47 |
| Molecular Formula: | C20 H19 N5 O3 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3cccc(c3)[N+]([O-])=O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8887 |
| logD: | 4.8887 |
| logSw: | -4.6855 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.679 |
| InChI Key: | RYPDBWWGXGNBSX-SFHVURJKSA-N |