6-(anthracen-9-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(anthracen-9-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(anthracen-9-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | Y508-7759 |
| Compound Name: | 6-(anthracen-9-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 478.62 |
| Molecular Formula: | C29 H26 N4 O S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3NC(c3c4ccccc4cc4ccccc34)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.972 |
| logD: | 7.972 |
| logSw: | -6.6813 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.754 |
| InChI Key: | FCDBCWYVZHRJFP-MHZLTWQESA-N |