3-(methylsulfanyl)-6-(5-nitro-2-propoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(methylsulfanyl)-6-(5-nitro-2-propoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(methylsulfanyl)-6-(5-nitro-2-propoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-2628 |
| Compound Name: | 3-(methylsulfanyl)-6-(5-nitro-2-propoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C20 H19 N5 O4 S |
| Smiles: | CCCOc1ccc(cc1C1Nc2ccccc2c2c(nc(nn2)SC)O1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8269 |
| logD: | 4.8269 |
| logSw: | -4.6638 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.183 |
| InChI Key: | NBDIRUODVIQPFP-SFHVURJKSA-N |