N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide

Chemical Structure Depiction of
N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide
Available: 1 mg
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mg
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Compound characteristics

Compound ID: E144-0664
Compound Name: N~3~-[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide
Molecular Weight: 359.45
Molecular Formula: C18 H21 N3 O3 S
Smiles: CSc1cccc(c1)NC(CCNC1=C(C(C1=O)=O)N1CCCC1)=O
Stereo: ACHIRAL
logP: 2.0011
logD: 2.001
logSw: -2.8449
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 2
Polar surface area: 64.216
InChI Key: PMXZHKOSTYITCA-UHFFFAOYSA-N
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