Methyl 4-[[5-[[3-[(2-amino-1,3-thiazol-4-yl)methyl]-1-butyl-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-butylimidazol-1-yl]methyl]benzoate

HCID 57213331
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Basic information

Standard SMILES
CCCCc1ncc(C=C2C(=O)N(CCCC)C(=O)N2Cc2csc(N)n2)n1Cc1ccc(C(=O)OC)cc1
InChIKey
PFROVIOWLWMKBF-UHFFFAOYSA-N
Molecular formula
C28H34N6O4S
Average molar mass
550.7 g/mol

Names & identifiers

Preferred name
Methyl 4-[[5-[[3-[(2-amino-1,3-thiazol-4-yl)methyl]-1-butyl-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-butylimidazol-1-yl]methyl]benzoate
IUPAC
methyl 4-[[5-[[3-[(2-amino-1,3-thiazol-4-yl)methyl]-1-butyl-2,5-dioxoimidazolidin-4-ylidene]methyl]-2-butylimidazol-1-yl]methyl]benzoate

Names & synonyms

SCHEMBL9598334

Database identifiers

PubChem CID
57213331

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
152 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
13
Heavy atoms
39

Related reactions

1 records
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Compound notes

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