Zandatrigine
4-[[(3S)-1-benzylpyrrolidin-3-yl]-methylamino]-2-fluoro-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide
Molecular Identity
Zandatrigine
4-[[(3S)-1-benzylpyrrolidin-3-yl]-methylamino]-2-fluoro-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide
PubChem CID: 132141687
2D Structure
Properties
C22H25FN4O2S2
Molecular Formula
460.60
Molecular Weight
g/mol
460.1403
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
102
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
685
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Zandatrigine2154406-04-7NBI-921352XEN901UNII-SV2WPA4R4JNBI9213524-[[(3S)-1-benzylpyrrolidin-3-yl]-methylamino]-2-fluoro-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamideBenzenesulfonamide, 2-fluoro-5-methyl-4-(methyl((3S)-1-(phenylmethyl)-3-pyrrolidinyl)amino)-N-4-thiazolyl-4-(((3S)-1-benzylpyrrolidin-3-yl)-methylamino)-2-fluoro-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamideBenzenesulfonamide, 2-fluoro-5-methyl-4-[methyl[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]-N-4-thiazolyl-RefChem:164912XEN-901SV2WPA4R4J(S)-4-((1-Benzylpyrrolidin-3-yl)(methyl)amino)-2-fluoro-5-methyl-N-(thiazol-4-yl)benzenesulfonamideZandatrigina
Data from PubChem (NCBI)
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