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DC 838

CAT: 0926-IVA18608-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-IVA18608-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
508186-08-1
MDL Number
MFCD03232229
Smiles
CCN1C2=CC (=NC=C2N=C1C3=NON=C3N) OC4=CC=CC (=C4) NC (=O) C5=CC=C (C=C5) OCCN6CCOCC6
Molecular Formula
C29H30N8O5
Molecular Weight
570.6 g/mol
Controlled
No

Chemical Information

1-N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CAS Number508186-08-1
PubChem CID2925555
IUPAC Name1-N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
Molecular FormulaC27H29N5O4
Molecular Weight487.5
XLogP2.6
Topological Polar Surface Area105
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity764
SMILES
CCN(CC)C(=O)C1CCCN(C1)C(=O)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5
InChI
InChI=1S/C27H29N5O4/c1-3-31(4-2)26(33)18-8-5-13-32(17-18)27(34)28-19-11-12-20-21(16-19)30-25(23-10-7-15-36-23)24(29-20)22-9-6-14-35-22/h6-7,9-12,14-16,18H,3-5,8,13,17H2,1-2H3,(H,28,34)
InChIKey
UOPZGBKCQNVSIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CAS: 508186-08-1
CID: 2925555
Formula: C27H29N5O4
MW: 487.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight487.5
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass487.22195442
Monoisotopic Mass487.22195442
Topological Polar Surface Area105 Ų
Heavy Atom Count36
Formal Charge0
Complexity764
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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