3-(ethylsulfanyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(ethylsulfanyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(ethylsulfanyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-1158 |
| Compound Name: | 3-(ethylsulfanyl)-6-(3,4,5-trimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C21 H22 N4 O4 S |
| Smiles: | CCSc1nc2c(c3ccccc3NC(c3cc(c(c(c3)OC)OC)OC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7287 |
| logD: | 3.7287 |
| logSw: | -3.9704 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.275 |
| InChI Key: | VIPVIMLMBKIKRG-IBGZPJMESA-N |