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GW627368 10mg

CAT: 0628-A15525-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A15525-10Size:10 mg
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CAS Number
439288-66-1

Chemical Information

N-(benzenesulfonyl)-2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetamide
CAS Number439288-66-1
PubChem CID5312130
IUPAC NameN-(benzenesulfonyl)-2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetamide
Molecular FormulaC30H28N2O6S
Molecular Weight544.6
XLogP4.8
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count39
Formal Charge0
Complexity953
SMILES
CCOC1=C2CN(C(=O)C2=C(C3=CC=CC=C31)OCC)C4=CC=C(C=C4)CC(=O)NS(=O)(=O)C5=CC=CC=C5
InChI
InChI=1S/C30H28N2O6S/c1-3-37-28-23-12-8-9-13-24(23)29(38-4-2)27-25(28)19-32(30(27)34)21-16-14-20(15-17-21)18-26(33)31-39(35,36)22-10-6-5-7-11-22/h5-17H,3-4,18-19H2,1-2H3,(H,31,33)
InChIKey
XREWXJVMYAXCJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(benzenesulfonyl)-2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetamide
CAS: 439288-66-1
CID: 5312130
Formula: C30H28N2O6S
MW: 544.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight544.6
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass544.16680779
Monoisotopic Mass544.16680779
Topological Polar Surface Area110 Ų
Heavy Atom Count39
Formal Charge0
Complexity953
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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