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TCS 2210

CAT: 0572-TRC-T127205-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T127205-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1201916-31-5
Synonyms
TCS 2210
Hazard Statement
No Data Available
Smiles
ONC(=O)c1ccc2NC(=O)C(=Nc2c1)CCCc3ccccc3
Molecular Formula
C18 H17 N3 O3
Molecular Weight
323.346
InChI
InChI=1S/C18H17N3O3/c22-17(21-24)13-9-10-14-16(11-13)19-15(18(23)20-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11,24H,4,7-8H2,(H,20,23)(H,21,22)
Additionnal Information
IUPAC name: N-hydroxy-2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxamide
Shipping Conditions
Room Temperature

Chemical Information

6-Quinoxalinecarboxamide, 1,2-dihydro-N-hydroxy-2-oxo-3-(3-phenylpropyl)-
CAS Number1201916-31-5
PubChem CID44607172
IUPAC NameN-hydroxy-2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxamide
Molecular FormulaC18H17N3O3
Molecular Weight323.3
XLogP1.7
Topological Polar Surface Area90.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity500
SMILES
C1=CC=C(C=C1)CCCC2=NC3=C(C=CC(=C3)C(=O)NO)NC2=O
InChI
InChI=1S/C18H17N3O3/c22-17(21-24)13-9-10-14-16(11-13)19-15(18(23)20-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11,24H,4,7-8H2,(H,20,23)(H,21,22)
InChIKey
ZOFZKGFBKISZRI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Quinoxalinecarboxamide, 1,2-dihydro-N-hydroxy-2-oxo-3-(3-phenylpropyl)-
CAS: 1201916-31-5
CID: 44607172
Formula: C18H17N3O3
MW: 323.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.3
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass323.12699141
Monoisotopic Mass323.12699141
Topological Polar Surface Area90.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity500
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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