6-(3-bromo-4-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(3-bromo-4-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(3-bromo-4-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 1927-8182 |
| Compound Name: | 6-(3-bromo-4-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 445.34 |
| Molecular Formula: | C19 H17 Br N4 O2 S |
| Smiles: | CCSc1nc2c(c3ccccc3NC(c3ccc(c(c3)[Br])OC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4178 |
| logD: | 4.4178 |
| logSw: | -4.3948 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.928 |
| InChI Key: | RSQYXSPHLOXREG-KRWDZBQOSA-N |