1-[4-(1-Benzothien-3-ylamino)benzoyl]-N,N-dimethylpyrrolidin-3-amine

HCID 24794879
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Basic information

Standard SMILES
CN(C)C1CCN(C(=O)c2ccc(Nc3csc4ccccc34)cc2)C1
InChIKey
IFQUMLVBMNTRID-UHFFFAOYSA-N
Molecular formula
C21H23N3OS
Average molar mass
365.5 g/mol

Names & identifiers

Preferred name
1-[4-(1-Benzothien-3-ylamino)benzoyl]-N,N-dimethylpyrrolidin-3-amine
IUPAC
[4-(1-benzothiophen-3-ylamino)phenyl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone

Names & synonyms

SCHEMBL2888158IFQUMLVBMNTRID-UHFFFAOYSA-N1-[4-(1-Benzothien-3-ylamino)benzoyl]-N,N-dimethylpyrrolidin-3-amine

Database identifiers

PubChem CID
24794879

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
63.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
26

Related reactions

2 records
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Compound notes

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