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3-(cyclobutylsulfamoyl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

ChemBase ID: 410102
Molecular Formular: C17H20N4O4S
Molecular Mass: 376.4301
Monoisotopic Mass: 376.12052614
SMILES and InChIs

SMILES:
S(=O)(=O)(NC1CCC1)c1cc(C(=O)NCc2nc(no2)C2CC2)ccc1
Canonical SMILES:
O=C(c1cccc(c1)S(=O)(=O)NC1CCC1)NCc1onc(n1)C1CC1
InChI:
InChI=1S/C17H20N4O4S/c22-17(18-10-15-19-16(20-25-15)11-7-8-11)12-3-1-6-14(9-12)26(23,24)21-13-4-2-5-13/h1,3,6,9,11,13,21H,2,4-5,7-8,10H2,(H,18,22)
InChIKey:
WKTYKIVFXOXKHW-UHFFFAOYSA-N

Cite this record

CBID:410102 http://www.chembase.cn/molecule-410102.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(cyclobutylsulfamoyl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
IUPAC Traditional name
3-(cyclobutylsulfamoyl)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
Synonyms
3-[(cyclobutylamino)sulfonyl]-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]benzamide

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 9.873283  H Acceptors
H Donor LogD (pH = 5.5) 1.6882911 
LogD (pH = 7.4) 1.6869757  Log P 1.688308 
Molar Refractivity 95.4792 cm3 Polarizability 36.452835 Å3
Polar Surface Area 114.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.62  LOG S -2.47 
Polar Surface Area 114.19 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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