Asapiprant
2-[2-(1,3-oxazol-2-yl)-5-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]phenoxy]acetic acid
Molecular Identity
Asapiprant
2-[2-(1,3-oxazol-2-yl)-5-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]phenoxy]acetic acid
PubChem CID: 59232326
2D Structure
Properties
C24H27N3O7S
Molecular Formula
501.60
Molecular Weight
g/mol
501.1570
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
131
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
10
H-Bond Acceptors
789
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)OC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)C4=NC=CO4)OCC(=O)OIsomeric SMILES
SMILES: CC(C)OC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)C4=NC=CO4)OCC(=O)OSynonyms(20)
Asapiprant932372-01-5BGE-175BGE175B2LW71CRGLBge 1752-(2-(Oxazol-2-yl)-5-(4-(4-((propan-2-yl)oxy)benzenesulfonyl(piperazin-1-yl)phenoxy)acetic acidAcetic acid, 2-(5-(4-((4-(1-methylethoxy)phenyl)sulfonyl)-1-piperazinyl)-2-(2-oxazolyl)phenoxy)-asapiprantumRefChem:916289Asapiprant [INN]S-5557392-(5-(4-((4-isopropoxyphenyl)sulfonyl)piperazin-1-yl)-2-(oxazol-2-yl)phenoxy)acetic acidSCHEMBL1106973BGE 175 [WHO-DD]
Data from PubChem (NCBI)
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