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380315-80-0 molecular structure
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N-[4-({[(4-tert-butylphenyl)formamido]methanethioyl}amino)phenyl]acetamide

ChemBase ID: 312882
Molecular Formular: C20H23N3O2S
Molecular Mass: 369.48052
Monoisotopic Mass: 369.15109799
SMILES and InChIs

SMILES:
c1c(ccc(c1)C(=O)NC(=S)Nc1ccc(cc1)NC(=O)C)C(C)(C)C
Canonical SMILES:
CC(=O)Nc1ccc(cc1)NC(=S)NC(=O)c1ccc(cc1)C(C)(C)C
InChI:
InChI=1S/C20H23N3O2S/c1-13(24)21-16-9-11-17(12-10-16)22-19(26)23-18(25)14-5-7-15(8-6-14)20(2,3)4/h5-12H,1-4H3,(H,21,24)(H2,22,23,25,26)
InChIKey:
WOWJIWFCOPZFGV-UHFFFAOYSA-N

Cite this record

CBID:312882 http://www.chembase.cn/molecule-312882.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[4-({[(4-tert-butylphenyl)formamido]methanethioyl}amino)phenyl]acetamide
IUPAC Traditional name
N-[4-({[(4-tert-butylphenyl)formamido]methanethioyl}amino)phenyl]acetamide
Synonyms
Tenovin-1
CAS Number
380315-80-0

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Selleck Chemicals S8000 external link Add to cart
Data Source Data ID Price
Selleck Chemicals
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 5.5132155  H Acceptors
H Donor LogD (pH = 5.5) 4.1188498 
LogD (pH = 7.4) 3.185208  Log P 4.3928294 
Molar Refractivity 111.3539 cm3 Polarizability 41.333813 Å3
Polar Surface Area 70.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Target
p53 expand Show data source
Salt Data
Free Base expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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