6-[3-(benzyloxy)phenyl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-[3-(benzyloxy)phenyl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-[3-(benzyloxy)phenyl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-5322 |
| Compound Name: | 6-[3-(benzyloxy)phenyl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C24 H20 N4 O2 S |
| Smiles: | CSc1nc2c(c3ccccc3NC(c3cccc(c3)OCc3ccccc3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0516 |
| logD: | 5.0516 |
| logSw: | -4.9295 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.525 |
| InChI Key: | ATPLGKQMZNRUMR-QFIPXVFZSA-N |