6-(4-chloro-3-nitrophenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(4-chloro-3-nitrophenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(4-chloro-3-nitrophenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-2252 |
| Compound Name: | 6-(4-chloro-3-nitrophenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 401.83 |
| Molecular Formula: | C17 H12 Cl N5 O3 S |
| Smiles: | CSc1nc2c(c3ccccc3NC(c3ccc(c(c3)[N+]([O-])=O)[Cl])O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8668 |
| logD: | 3.8668 |
| logSw: | -4.3384 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.378 |
| InChI Key: | UUIJPMSNLWYWST-HNNXBMFYSA-N |