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Benzyl 2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-3-hydroxypyrrolidine-1-carboxylate

HCID 76582844
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(NC1CC1)c1ccc(-c2csc(NC(=O)C3C(O)CCN3C(=O)OCc3ccccc3)n2)cc1
InChIKey
WBCUIDOIKVFSNE-UHFFFAOYSA-N
Molecular formula
C26H26N4O5S
Average molar mass
506.6 g/mol
Monoisotopic mass
506.16239112

Names & identifiers

Preferred name
Benzyl 2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-3-hydroxypyrrolidine-1-carboxylate
IUPAC
benzyl 2-[[4-[4-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-3-hydroxypyrrolidine-1-carboxylate

Names & synonyms

SCHEMBL3140680

Database identifiers

PubChem CID
76582844

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
149 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
36
Formal charge
0
Complexity
797

Related reactions

1 records
New reaction record
HRID 136558 reaction equation
HRID 136558As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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