6-(5-bromo-2-methoxyphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(5-bromo-2-methoxyphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(5-bromo-2-methoxyphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-0178 |
| Compound Name: | 6-(5-bromo-2-methoxyphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 431.31 |
| Molecular Formula: | C18 H15 Br N4 O2 S |
| Smiles: | COc1ccc(cc1C1Nc2ccccc2c2c(nc(nn2)SC)O1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5138 |
| logD: | 4.5138 |
| logSw: | -4.4608 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.928 |
| InChI Key: | BXOJZPFSNVHJHH-INIZCTEOSA-N |