Atreleuton
1-[(2R)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-1-hydroxyurea
Molecular Identity
Atreleuton
1-[(2R)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-1-hydroxyurea
PubChem CID: 3086671
2D Structure
Properties
C16H15FN2O2S
Molecular Formula
318.40
Molecular Weight
g/mol
318.0838
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
94.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
454
Complexity
SMILES
Canonical SMILES
SMILES: CC(C#CC1=CC=C(S1)CC2=CC=C(C=C2)F)N(C(=O)N)OIsomeric SMILES
SMILES: C[C@H](C#CC1=CC=C(S1)CC2=CC=C(C=C2)F)N(C(=O)N)OSynonyms(20)
Atreleuton154355-76-7Abbott-85761VIA-2291VIA2291U301T88E1M1-[(2R)-4-[5-[(4-fluorophenyl)methyl]thiophen-2-yl]but-3-yn-2-yl]-1-hydroxyureaA-85761.0A-85761DTXSID10165598atreleutonum1-((2R)-4-(5-((4-fluorophenyl)methyl)thiophen-2-yl)but-3-yn-2-yl)-1-hydroxyureaRefChem:560332DTXCID1088089N-(3-(5-((4-fluorophenyl)methyl)-2-thienyl)-1-methyl-2-propynyl)-N-hydroxyurea
Data from PubChem (NCBI)
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