6-(3-bromo-4,5-dimethoxyphenyl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(3-bromo-4,5-dimethoxyphenyl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(3-bromo-4,5-dimethoxyphenyl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3091 |
| Compound Name: | 6-(3-bromo-4,5-dimethoxyphenyl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 503.42 |
| Molecular Formula: | C22 H23 Br N4 O3 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3cc(c(c(c3)[Br])OC)OC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5454 |
| logD: | 5.5454 |
| logSw: | -5.4782 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.645 |
| InChI Key: | TUQVCSRPQCDLEI-FQEVSTJZSA-N |