1-[3-(pentylsulfanyl)-6-(thiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one

Chemical Structure Depiction of
1-[3-(pentylsulfanyl)-6-(thiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Available: 58 mg
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mg
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Compound characteristics

Compound ID: 4896-4246
Compound Name: 1-[3-(pentylsulfanyl)-6-(thiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Molecular Weight: 426.56
Molecular Formula: C21 H22 N4 O2 S2
Smiles: CCCCCSc1nc2c(c3ccccc3N(C(c3cccs3)O2)C(C)=O)nn1
Stereo: RACEMIC MIXTURE
logP: 4.8787
logD: 4.8787
logSw: -4.7329
Hydrogen bond acceptors count: 7
Polar surface area: 55.657
InChI Key: YWPMKDSYIZMKEC-FQEVSTJZSA-N
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