6-(3-bromophenyl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(3-bromophenyl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(3-bromophenyl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2040-0866 |
| Compound Name: | 6-(3-bromophenyl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 443.36 |
| Molecular Formula: | C20 H19 Br N4 O S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3cccc(c3)[Br])O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8626 |
| logD: | 5.8626 |
| logSw: | -5.5486 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.297 |
| InChI Key: | YRIDBGQOEVFWGX-SFHVURJKSA-N |