6-(2,3-dimethoxyphenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(2,3-dimethoxyphenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(2,3-dimethoxyphenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-2465 |
| Compound Name: | 6-(2,3-dimethoxyphenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C21 H22 N4 O3 S |
| Smiles: | CCCSc1nc2c(c3ccccc3NC(c3cccc(c3OC)OC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1987 |
| logD: | 4.1987 |
| logSw: | -4.4216 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.645 |
| InChI Key: | PXAOZEKWXXKMIM-IBGZPJMESA-N |