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
- Formal charge
- 0
- Complexity
- 905
Related reactions
3 records
Compound notes
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