6-[2-(benzyloxy)-5-bromophenyl]-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-[2-(benzyloxy)-5-bromophenyl]-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-[2-(benzyloxy)-5-bromophenyl]-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
Compound ID: | Y500-1109 |
Compound Name: | 6-[2-(benzyloxy)-5-bromophenyl]-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
Molecular Weight: | 549.49 |
Molecular Formula: | C27 H25 Br N4 O2 S |
Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3cc(ccc3OCc3ccccc3)[Br])O2)nn1 |
Stereo: | RACEMIC MIXTURE |
logP: | 7.5378 |
logD: | 7.5378 |
logSw: | -5.8118 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 59.612 |
InChI Key: | ZWPZSMPXOOSUGT-VWLOTQADSA-N |