3-({4-[4-(methylsulfanyl)phenyl]-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl}methyl)benzonitrile

Chemical Structure Depiction of
3-({4-[4-(methylsulfanyl)phenyl]-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl}methyl)benzonitrile
Available: 91 mg
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mg
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Compound characteristics

Compound ID: P799-0402
Compound Name: 3-({4-[4-(methylsulfanyl)phenyl]-1,1,3-trioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl}methyl)benzonitrile
Molecular Weight: 436.51
Molecular Formula: C21 H16 N4 O3 S2
Smiles: CSc1ccc(cc1)N1C(N(Cc2cccc(C#N)c2)S(c2cccnc12)(=O)=O)=O
Stereo: ACHIRAL
logP: 3.2015
logD: 3.2015
logSw: -3.4425
Hydrogen bond acceptors count: 9
Polar surface area: 73.735
InChI Key: AQBLHLRJIRNOCR-UHFFFAOYSA-N
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