6-(2,5-dimethoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(2,5-dimethoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(2,5-dimethoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2040-0072 |
| Compound Name: | 6-(2,5-dimethoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 396.47 |
| Molecular Formula: | C20 H20 N4 O3 S |
| Smiles: | CCSc1nc2c(c3ccccc3NC(c3cc(ccc3OC)OC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1793 |
| logD: | 4.1793 |
| logSw: | -4.3184 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.472 |
| InChI Key: | SPYSHEMOYFDZKE-SFHVURJKSA-N |