10-bromo-6-[2-(furan-2-yl)ethenyl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
10-bromo-6-[2-(furan-2-yl)ethenyl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
10-bromo-6-[2-(furan-2-yl)ethenyl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6753-0325 |
| Compound Name: | 10-bromo-6-[2-(furan-2-yl)ethenyl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 473.39 |
| Molecular Formula: | C21 H21 Br N4 O2 S |
| Smiles: | CCCCCSc1nc2c(c3cc(ccc3NC(/C=C/c3ccco3)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2948 |
| logD: | 6.2948 |
| logSw: | -5.5075 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.394 |
| InChI Key: | PBMZGSKDKRXQNC-XSFOEPMVSA-N |