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N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

ChemBase ID: 470296
Molecular Formular: C19H23N3OS
Molecular Mass: 341.47042
Monoisotopic Mass: 341.15618337
SMILES and InChIs

SMILES:
c1(c([nH]c2c1c(ccc2C)C)C)CC(=O)N(C(c1scnc1)C)C
Canonical SMILES:
O=C(N(C(c1cncs1)C)C)Cc1c(C)[nH]c2c1c(C)ccc2C
InChI:
InChI=1S/C19H23N3OS/c1-11-6-7-12(2)19-18(11)15(13(3)21-19)8-17(23)22(5)14(4)16-9-20-10-24-16/h6-7,9-10,14,21H,8H2,1-5H3
InChIKey:
ZXOOSWAYWBUYED-UHFFFAOYSA-N

Cite this record

CBID:470296 http://www.chembase.cn/molecule-470296.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
IUPAC Traditional name
N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
Synonyms
N-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 16.96477  H Acceptors
H Donor LogD (pH = 5.5) 3.5087836 
LogD (pH = 7.4) 3.5088491  Log P 3.50885 
Molar Refractivity 99.3237 cm3 Polarizability 38.603485 Å3
Polar Surface Area 48.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.65  LOG S -3.95 
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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