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Prop-2-enyl 1-[[7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]imidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropane-1-carboxylate

HCID 67390408
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CCOC(=O)C1(NC(=O)c2cnc3n2C(C)(Cc2ccc(-n4cncn4)cc2)C(=O)N3c2cc(Cl)cc(Cl)c2)CC1
InChIKey
AQPCXPRBUHFGQF-UHFFFAOYSA-N
Molecular formula
C29H25Cl2N7O4
Average molar mass
606.5 g/mol
Monoisotopic mass
605.1345077

Names & identifiers

Preferred name
Prop-2-enyl 1-[[7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]imidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropane-1-carboxylate
IUPAC
prop-2-enyl 1-[[7-(3,5-dichlorophenyl)-5-methyl-6-oxo-5-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]imidazo[1,2-a]imidazole-3-carbonyl]amino]cyclopropane-1-carboxylate

Names & synonyms

SCHEMBL2392768

Database identifiers

PubChem CID
67390408

Properties

Computed structural propertiesFilling in

XLogP
4.9
Topological polar surface area
124 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
42
Formal charge
0
Complexity
1,060

Related reactions

2 records
New reaction record
HRID 120833 reaction equation
HRID 120833As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1143274 reaction equation
HRID 1143274As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes