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CAT: 1299-RG-A261245-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A261245-02Size:25 mg
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CAS Number
1359431-16-5
Synonyms
4-hydroxy-2-oxo-N- (4-sulfamoylphenyl) -1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-b]pyridine-3-carboxamide
Molecular Formula
C18H17N3O5S2
Molecular Weight
419.47
Product Name Synonym
4-hydroxy-2-oxo-N- (4-sulfamoylphenyl) -1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-b]pyridine-3-carboxamide

Chemical Information

4-Hydroxy-2-oxo-N-(4-sulfamoylphenyl)-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-b]pyridine-3-carboxamide
CAS Number1359431-16-5
PubChem CID54733438
IUPAC Name4-hydroxy-2-oxo-N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-b]pyridine-3-carboxamide
Molecular FormulaC18H17N3O5S2
Molecular Weight419.5
XLogP2.1
Topological Polar Surface Area175
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity799
SMILES
C1CCC2=C(C1)C3=C(S2)NC(=O)C(=C3O)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C18H17N3O5S2/c19-28(25,26)10-7-5-9(6-8-10)20-16(23)14-15(22)13-11-3-1-2-4-12(11)27-18(13)21-17(14)24/h5-8H,1-4H2,(H,20,23)(H2,19,25,26)(H2,21,22,24)
InChIKey
MVQJFYRZMPKNIV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-2-oxo-N-(4-sulfamoylphenyl)-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-b]pyridine-3-carboxamide
CAS: 1359431-16-5
CID: 54733438
Formula: C18H17N3O5S2
MW: 419.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.5
XLogP32.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass419.06096300
Monoisotopic Mass419.06096300
Topological Polar Surface Area175 Ų
Heavy Atom Count28
Formal Charge0
Complexity799
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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