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4-[[(3,4-Dimethylphenyl)(methylsulfonyl)amino]methyl]benzoic acid 2-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]hydrazide

HCID 73404693
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Basic information

CAS
914348-24-6
Standard SMILES
Cc1ccc(N(Cc2ccc(C(=O)NN=Cc3cc(C)n(-c4ccccc4)c3C)cc2)S(C)(=O)=O)cc1C
InChIKey
LASKSZVGMVDVCC-UHFFFAOYSA-N
Molecular formula
C30H32N4O3S
Average molar mass
528.7 g/mol
Monoisotopic mass
528.21951207

Names & identifiers

Preferred name
4-[[(3,4-Dimethylphenyl)(methylsulfonyl)amino]methyl]benzoic acid 2-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]hydrazide
IUPAC
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]benzamide

Names & synonyms

DTXSID9011034024-[[(3,4-Dimethylphenyl)(methylsulfonyl)amino]methyl]benzoic acid 2-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]hydrazide914348-24-6

Database identifiers

CAS
914348-24-6
PubChem CID
73404693
DTXSID
DTXSID901103402

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
92.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
38
Formal charge
0
Complexity
905

Related reactions

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Compound notes

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