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N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N,3,5,7-tetramethyl-1H-indole-2-carboxamide

ChemBase ID: 470057
Molecular Formular: C20H25N3OS
Molecular Mass: 355.497
Monoisotopic Mass: 355.17183344
SMILES and InChIs

SMILES:
c1([nH]c2c(c1C)cc(cc2C)C)C(=O)N(C(c1nc(sc1C)C)C)C
Canonical SMILES:
Cc1nc(c(s1)C)C(N(C(=O)c1[nH]c2c(c1C)cc(cc2C)C)C)C
InChI:
InChI=1S/C20H25N3OS/c1-10-8-11(2)17-16(9-10)12(3)18(22-17)20(24)23(7)13(4)19-14(5)25-15(6)21-19/h8-9,13,22H,1-7H3
InChIKey:
SMMLZWFQCNRTOA-UHFFFAOYSA-N

Cite this record

CBID:470057 http://www.chembase.cn/molecule-470057.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N,3,5,7-tetramethyl-1H-indole-2-carboxamide
IUPAC Traditional name
N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N,3,5,7-tetramethyl-1H-indole-2-carboxamide
Synonyms
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,3,5,7-tetramethyl-1H-indole-2-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.047967  H Acceptors
H Donor LogD (pH = 5.5) 4.62941 
LogD (pH = 7.4) 4.6326513  Log P 4.6326933 
Molar Refractivity 104.3071 cm3 Polarizability 40.073353 Å3
Polar Surface Area 48.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.84  LOG S -4.21 
Polar Surface Area 48.99 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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