6-(2-chloro-4,5-dimethoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(2-chloro-4,5-dimethoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(2-chloro-4,5-dimethoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3334 |
| Compound Name: | 6-(2-chloro-4,5-dimethoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 430.91 |
| Molecular Formula: | C20 H19 Cl N4 O3 S |
| Smiles: | CCSc1nc2c(c3ccccc3NC(c3cc(c(cc3[Cl])OC)OC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1002 |
| logD: | 4.1002 |
| logSw: | -4.4099 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.558 |
| InChI Key: | ONDRQHUOBZNJHU-SFHVURJKSA-N |