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N-(1-benzothiophen-2-ylmethyl)-N,4-dimethylpyrimidine-5-carboxamide

ChemBase ID: 341592
Molecular Formular: C16H15N3OS
Molecular Mass: 297.3748
Monoisotopic Mass: 297.09358312
SMILES and InChIs

SMILES:
C(=O)(c1c(ncnc1)C)N(Cc1sc2c(c1)cccc2)C
Canonical SMILES:
Cc1ncncc1C(=O)N(Cc1cc2c(s1)cccc2)C
InChI:
InChI=1S/C16H15N3OS/c1-11-14(8-17-10-18-11)16(20)19(2)9-13-7-12-5-3-4-6-15(12)21-13/h3-8,10H,9H2,1-2H3
InChIKey:
MKUOJGXMXPOEMD-UHFFFAOYSA-N

Cite this record

CBID:341592 http://www.chembase.cn/molecule-341592.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(1-benzothiophen-2-ylmethyl)-N,4-dimethylpyrimidine-5-carboxamide
IUPAC Traditional name
N-(1-benzothiophen-2-ylmethyl)-N,4-dimethylpyrimidine-5-carboxamide
Synonyms
N-(1-benzothien-2-ylmethyl)-N,4-dimethylpyrimidine-5-carboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 14040920 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 2.2120132  LogD (pH = 7.4) 2.2120352 
Log P 2.2120354  Molar Refractivity 83.9224 cm3
Polarizability 32.576885 Å3 Polar Surface Area 46.09 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.82  LOG S -3.78 
Polar Surface Area 46.09 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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