3-{4-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-1,4-diazepane-1-carbonyl}benzonitrile

Chemical Structure Depiction of
3-{4-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-1,4-diazepane-1-carbonyl}benzonitrile
Available: 12 mg
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mg
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Compound characteristics

Compound ID: P533-0233
Compound Name: 3-{4-[4-methyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-1,4-diazepane-1-carbonyl}benzonitrile
Molecular Weight: 448.54
Molecular Formula: C24 H24 N4 O3 S
Smiles: CC1=C(c2ccc(C)cc2)S(N=C1N1CCCN(CC1)C(c1cccc(C#N)c1)=O)(=O)=O
Stereo: ACHIRAL
logP: 2.961
logD: 2.961
logSw: -3.2998
Hydrogen bond acceptors count: 8
Polar surface area: 76.974
InChI Key: LZMWJMMVWFYZSD-UHFFFAOYSA-N
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