10-bromo-3-(butylsulfanyl)-6-(3,4-dimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
10-bromo-3-(butylsulfanyl)-6-(3,4-dimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
10-bromo-3-(butylsulfanyl)-6-(3,4-dimethoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3922 |
| Compound Name: | 10-bromo-3-(butylsulfanyl)-6-(3,4-dimethoxyphenyl)-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(c3cc(ccc3NC(c3ccc(c(c3)OC)OC)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.614 |
| logD: | 5.614 |
| logSw: | -5.5022 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.558 |
| InChI Key: | DEXXHTYZJKUIMD-HXUWFJFHSA-N |