6-[4-(benzyloxy)-3-methoxyphenyl]-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-[4-(benzyloxy)-3-methoxyphenyl]-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-[4-(benzyloxy)-3-methoxyphenyl]-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-2270 |
| Compound Name: | 6-[4-(benzyloxy)-3-methoxyphenyl]-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 472.57 |
| Molecular Formula: | C26 H24 N4 O3 S |
| Smiles: | CCSc1nc2c(c3ccccc3NC(c3ccc(c(c3)OC)OCc3ccccc3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2024 |
| logD: | 5.2024 |
| logSw: | -5.2769 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.242 |
| InChI Key: | DQCNKIRUMXXTNS-DEOSSOPVSA-N |