1-[6-(4-bromophenyl)-3-(ethylsulfanyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one

Chemical Structure Depiction of
1-[6-(4-bromophenyl)-3-(ethylsulfanyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Available: 101 mg
Amount:
mg
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Compound characteristics

Compound ID: F579-1773
Compound Name: 1-[6-(4-bromophenyl)-3-(ethylsulfanyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Molecular Weight: 499.43
Molecular Formula: C23 H23 Br N4 O2 S
Smiles: CCC(N1C(c2ccc(cc2)[Br])Oc2c(c3cc(C)cc(C)c13)nnc(n2)SCC)=O
Stereo: RACEMIC MIXTURE
logP: 6.2113
logD: 6.2113
logSw: -5.4618
Hydrogen bond acceptors count: 7
Polar surface area: 54.801
InChI Key: XEPAMSHFJIEMDE-QFIPXVFZSA-N
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