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N-({2-[3-(4-methoxybenzenesulfonamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide

ChemBase ID: 370711
Molecular Formular: C24H25N5O5S
Molecular Mass: 495.5508
Monoisotopic Mass: 495.15763993
SMILES and InChIs

SMILES:
S(=O)(=O)(Nc1cc(c2nc(c(o2)C)CNC(=O)c2n(nc(c2)C)C)ccc1)c1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)c1nc(c(o1)C)CNC(=O)c1cc(nn1C)C
InChI:
InChI=1S/C24H25N5O5S/c1-15-12-22(29(3)27-15)23(30)25-14-21-16(2)34-24(26-21)17-6-5-7-18(13-17)28-35(31,32)20-10-8-19(33-4)9-11-20/h5-13,28H,14H2,1-4H3,(H,25,30)
InChIKey:
MLBNUVOMZKIHGH-UHFFFAOYSA-N

Cite this record

CBID:370711 http://www.chembase.cn/molecule-370711.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-({2-[3-(4-methoxybenzenesulfonamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
IUPAC Traditional name
N-({2-[3-(4-methoxybenzenesulfonamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-2,5-dimethylpyrazole-3-carboxamide
Synonyms
N-{[2-(3-{[(4-methoxyphenyl)sulfonyl]amino}phenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1,3-dimethyl-1H-pyrazole-5-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 7.9997616  H Acceptors
H Donor LogD (pH = 5.5) 1.8276118 
LogD (pH = 7.4) 1.7438555  Log P 1.8289555 
Molar Refractivity 151.752 cm3 Polarizability 50.379272 Å3
Polar Surface Area 128.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.53  LOG S -6.02 
Polar Surface Area 128.35 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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