6-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 2049-1842 |
| Compound Name: | 6-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 487.37 |
| Molecular Formula: | C21 H19 Br N4 O3 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3cc4c(cc3[Br])OCO4)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3981 |
| logD: | 5.3981 |
| logSw: | -5.3786 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.413 |
| InChI Key: | IGFCPXHVOACOQE-IBGZPJMESA-N |