N-(5-tert-Butyl-2-methanesulfinyl-phenyl)-3-[4-(5-ethyl-1-phenyl-1H-pyrazol-4-yl)-imidazol-1-yl]-4-methyl-benzamide

HCID 21097103

Basic information

Standard SMILES
CCc1c(-c2cn(-c3cc(C(=O)Nc4cc(C(C)(C)C)ccc4S(C)=O)ccc3C)cn2)cnn1-c1ccccc1
InChIKey
LJYLAOWAJRUGSM-UHFFFAOYSA-N
Molecular formula
C33H35N5O2S
Average molar mass
565.7 g/mol

Names & identifiers

Preferred name
N-(5-tert-Butyl-2-methanesulfinyl-phenyl)-3-[4-(5-ethyl-1-phenyl-1H-pyrazol-4-yl)-imidazol-1-yl]-4-methyl-benzamide
IUPAC
N-(5-tert-butyl-2-methylsulfinylphenyl)-3-[4-(5-ethyl-1-phenylpyrazol-4-yl)imidazol-1-yl]-4-methylbenzamide

Names & synonyms

SCHEMBL304557LJYLAOWAJRUGSM-UHFFFAOYSA-NN-(5-tert-Butyl-2-methanesulfinyl-phenyl)-3-[4-(5-ethyl-1-phenyl-1H-pyrazol-4-yl)-imidazol-1-yl]-4-methyl-benzamide

Database identifiers

PubChem CID
21097103

Properties

Computed structural properties

XLogP
6.7
Topological polar surface area
101 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
41

Related reactions

3 records

Compound notes

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