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WAY 170523 1mg

CAT: 0628-A15317-1Size: 1 mgDry Ice: NoHazardous: No
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CAS Number
307002-73-9

Chemical Information

N-[2-[4-[[[2-[(Hydroxyamino)carbonyl]-4,6-dimethylphenyl](phenylmethyl)amino]sulfonyl]phenoxy]ethyl]-2-benzofurancarboxamide

N-[2-[4-[[2-[(hydroxyamino)-oxomethyl]-4,6-dimethylphenyl]-(phenylmethyl)sulfamoyl]phenoxy]ethyl]-2-benzofurancarboxamide is a sulfonamide.

CAS Number307002-73-9
PubChem CID9830392
IUPAC NameN-[2-[4-[benzyl-[2-(hydroxycarbamoyl)-4,6-dimethylphenyl]sulfamoyl]phenoxy]ethyl]-1-benzofuran-2-carboxamide
Molecular FormulaC33H31N3O7S
Molecular Weight613.7
XLogP5.3
Topological Polar Surface Area147
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count44
Formal Charge0
Complexity1050
SMILES
CC1=CC(=C(C(=C1)C(=O)NO)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OCCNC(=O)C4=CC5=CC=CC=C5O4)C
InChI
InChI=1S/C33H31N3O7S/c1-22-18-23(2)31(28(19-22)32(37)35-39)36(21-24-8-4-3-5-9-24)44(40,41)27-14-12-26(13-15-27)42-17-16-34-33(38)30-20-25-10-6-7-11-29(25)43-30/h3-15,18-20,39H,16-17,21H2,1-2H3,(H,34,38)(H,35,37)
InChIKey
FARMEEAGJWMFSZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-[4-[[[2-[(Hydroxyamino)carbonyl]-4,6-dimethylphenyl](phenylmethyl)amino]sulfonyl]phenoxy]ethyl]-2-benzofurancarboxamide
CAS: 307002-73-9
CID: 9830392
Formula: C33H31N3O7S
MW: 613.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight613.7
XLogP35.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass613.18827151
Monoisotopic Mass613.18827151
Topological Polar Surface Area147 Ų
Heavy Atom Count44
Formal Charge0
Complexity1050
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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