6-(2-bromo-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(2-bromo-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(2-bromo-5-methoxyphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3063 |
| Compound Name: | 6-(2-bromo-5-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(c3cc(ccc3[Br])OC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7841 |
| logD: | 4.7841 |
| logSw: | -4.5971 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.841 |
| InChI Key: | BAOAHCITDLEMJP-KRWDZBQOSA-N |