10-bromo-6-(4,6-dimethylcyclohex-3-en-1-yl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
10-bromo-6-(4,6-dimethylcyclohex-3-en-1-yl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
10-bromo-6-(4,6-dimethylcyclohex-3-en-1-yl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6188-0228 |
| Compound Name: | 10-bromo-6-(4,6-dimethylcyclohex-3-en-1-yl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 433.37 |
| Molecular Formula: | C19 H21 Br N4 O S |
| Smiles: | CC1CC(C)=CCC1C1Nc2ccc(cc2c2c(nc(nn2)SC)O1)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.785 |
| logD: | 5.785 |
| logSw: | -5.5626 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.49 |
| InChI Key: | JGMCBJMVRNZPQS-UHFFFAOYSA-N |