6-(3-nitrophenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(3-nitrophenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(3-nitrophenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2040-0173 |
| Compound Name: | 6-(3-nitrophenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 395.44 |
| Molecular Formula: | C19 H17 N5 O3 S |
| Smiles: | CCCSc1nc2c(c3ccccc3NC(c3cccc(c3)[N+]([O-])=O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2045 |
| logD: | 4.2045 |
| logSw: | -4.333 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.679 |
| InChI Key: | VBVVFCPMVVRRAI-KRWDZBQOSA-N |