6-(2-ethoxy-5-nitrophenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(2-ethoxy-5-nitrophenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(2-ethoxy-5-nitrophenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3421 |
| Compound Name: | 6-(2-ethoxy-5-nitrophenyl)-3-(methylsulfanyl)-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: | CCOc1ccc(cc1C1Nc2ccccc2c2c(nc(nn2)SC)O1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1504 |
| logD: | 4.1504 |
| logSw: | -4.3321 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.889 |
| InChI Key: | CGCDTQVBXDFSPQ-KRWDZBQOSA-N |