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CAY10746

CAT: 0127-BUP16145-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP16145-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2247240-76-0
Purity
=98%
Smiles
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1

Chemical Information

CID 155513187
CAS Number2247240-76-0
PubChem CID155513187
IUPAC Name4-(dimethylamino)-N-[3-[[2-(4-oxochromen-7-yl)oxyacetyl]amino]phenyl]benzamide
Molecular FormulaC26H23N3O5
Molecular Weight457.5
XLogP3.4
Topological Polar Surface Area97
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity762
SMILES
CN(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC(=O)COC3=CC4=C(C=C3)C(=O)C=CO4
InChI
InChI=1S/C26H23N3O5/c1-29(2)20-8-6-17(7-9-20)26(32)28-19-5-3-4-18(14-19)27-25(31)16-34-21-10-11-22-23(30)12-13-33-24(22)15-21/h3-15H,16H2,1-2H3,(H,27,31)(H,28,32)
InChIKey
WVGDUQVQWLHVEA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 155513187
CAS: 2247240-76-0
CID: 155513187
Formula: C26H23N3O5
MW: 457.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.5
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass457.16377084
Monoisotopic Mass457.16377084
Topological Polar Surface Area97 Ų
Heavy Atom Count34
Formal Charge0
Complexity762
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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