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2,3-dimethyl-N-[2-(N-methylmethanesulfonamido)ethyl]quinoxaline-6-carboxamide

ChemBase ID: 398730
Molecular Formular: C15H20N4O3S
Molecular Mass: 336.4093
Monoisotopic Mass: 336.12561152
SMILES and InChIs

SMILES:
S(=O)(=O)(N(CCNC(=O)c1cc2nc(c(nc2cc1)C)C)C)C
Canonical SMILES:
O=C(c1ccc2c(c1)nc(c(n2)C)C)NCCN(S(=O)(=O)C)C
InChI:
InChI=1S/C15H20N4O3S/c1-10-11(2)18-14-9-12(5-6-13(14)17-10)15(20)16-7-8-19(3)23(4,21)22/h5-6,9H,7-8H2,1-4H3,(H,16,20)
InChIKey:
ACGOICADFSUINV-UHFFFAOYSA-N

Cite this record

CBID:398730 http://www.chembase.cn/molecule-398730.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dimethyl-N-[2-(N-methylmethanesulfonamido)ethyl]quinoxaline-6-carboxamide
IUPAC Traditional name
2,3-dimethyl-N-[2-(N-methylmethanesulfonamido)ethyl]quinoxaline-6-carboxamide
Synonyms
2,3-dimethyl-N-{2-[methyl(methylsulfonyl)amino]ethyl}-6-quinoxalinecarboxamide

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 14.795842  H Acceptors
H Donor LogD (pH = 5.5) -0.6233643 
LogD (pH = 7.4) -0.6232883  Log P -0.62328726 
Molar Refractivity 86.4998 cm3 Polarizability 35.10748 Å3
Polar Surface Area 92.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.83  LOG S -2.36 
Polar Surface Area 92.26 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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