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WRG-28 25mg

CAT: 0628-A18832-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A18832-25Size:25 mg
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CAS Number
1913291-02-7

Chemical Information

N-Ethyl-4-(((3-oxo-3H-phenoxazin-7-yl)oxy)methyl)benzenesulfonamide
CAS Number1913291-02-7
PubChem CID139035038
IUPAC NameN-ethyl-4-[(7-oxophenoxazin-3-yl)oxymethyl]benzenesulfonamide
Molecular FormulaC21H18N2O5S
Molecular Weight410.4
XLogP2.3
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity818
SMILES
CCNS(=O)(=O)C1=CC=C(C=C1)COC2=CC3=C(C=C2)N=C4C=CC(=O)C=C4O3
InChI
InChI=1S/C21H18N2O5S/c1-2-22-29(25,26)17-7-3-14(4-8-17)13-27-16-6-10-19-21(12-16)28-20-11-15(24)5-9-18(20)23-19/h3-12,22H,2,13H2,1H3
InChIKey
AARVTLIQNGAELZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Ethyl-4-(((3-oxo-3H-phenoxazin-7-yl)oxy)methyl)benzenesulfonamide
CAS: 1913291-02-7
CID: 139035038
Formula: C21H18N2O5S
MW: 410.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight410.4
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass410.09364285
Monoisotopic Mass410.09364285
Topological Polar Surface Area102 Ų
Heavy Atom Count29
Formal Charge0
Complexity818
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