5-(4-Ethoxycarbonylpiperazin-1-yl)-4-[[5-(2-ethoxy-2-oxoethoxy)-1-phenylpyrazole-3-carbonyl]amino]-5-oxopentanoic acid

HCID 66920144
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Basic information

Standard SMILES
CCOC(=O)COc1cc(C(=O)NC(CCC(=O)O)C(=O)N2CCN(C(=O)OCC)CC2)nn1-c1ccccc1
InChIKey
AMKNFZWJYVUBKH-UHFFFAOYSA-N
Molecular formula
C26H33N5O9
Average molar mass
559.6 g/mol

Names & identifiers

Preferred name
5-(4-Ethoxycarbonylpiperazin-1-yl)-4-[[5-(2-ethoxy-2-oxoethoxy)-1-phenylpyrazole-3-carbonyl]amino]-5-oxopentanoic acid
IUPAC
5-(4-ethoxycarbonylpiperazin-1-yl)-4-[[5-(2-ethoxy-2-oxoethoxy)-1-phenylpyrazole-3-carbonyl]amino]-5-oxopentanoic acid

Names & synonyms

SCHEMBL1143858

Database identifiers

PubChem CID
66920144

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
170 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
14
Heavy atoms
40

Related reactions

1 records
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Compound notes

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