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N-[(2-{2-[(dimethylsulfamoyl)amino]phenyl}-5-methyl-1,3-oxazol-4-yl)methyl]-2,3-dimethyl-1H-indole-7-carboxamide

ChemBase ID: 322838
Molecular Formular: C24H27N5O4S
Molecular Mass: 481.56728
Monoisotopic Mass: 481.17837537
SMILES and InChIs

SMILES:
S(=O)(=O)(Nc1c(c2nc(c(o2)C)CNC(=O)c2c3[nH]c(c(c3ccc2)C)C)cccc1)N(C)C
Canonical SMILES:
Cc1oc(nc1CNC(=O)c1cccc2c1[nH]c(c2C)C)c1ccccc1NS(=O)(=O)N(C)C
InChI:
InChI=1S/C24H27N5O4S/c1-14-15(2)26-22-17(14)10-8-11-19(22)23(30)25-13-21-16(3)33-24(27-21)18-9-6-7-12-20(18)28-34(31,32)29(4)5/h6-12,26,28H,13H2,1-5H3,(H,25,30)
InChIKey:
XIRIQTGFZUTGFG-UHFFFAOYSA-N

Cite this record

CBID:322838 http://www.chembase.cn/molecule-322838.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(2-{2-[(dimethylsulfamoyl)amino]phenyl}-5-methyl-1,3-oxazol-4-yl)methyl]-2,3-dimethyl-1H-indole-7-carboxamide
IUPAC Traditional name
N-[(2-{2-[(dimethylsulfamoyl)amino]phenyl}-5-methyl-1,3-oxazol-4-yl)methyl]-2,3-dimethyl-1H-indole-7-carboxamide
Synonyms
N-{[2-(2-{[(dimethylamino)sulfonyl]amino}phenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2,3-dimethyl-1H-indole-7-carboxamide

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 8.751119  H Acceptors
H Donor LogD (pH = 5.5) 2.1956906 
LogD (pH = 7.4) 2.179181  Log P 2.1959116 
Molar Refractivity 141.6129 cm3 Polarizability 51.85957 Å3
Polar Surface Area 120.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.2  LOG S -7.68 
Polar Surface Area 120.33 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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