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CAT: 0013-GTR19199164-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199164-03Size:100 mg
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Description
HENC
CAS Number
332170-67-9
Smiles
C (NN=C (C) C=1C=C2C (=CC1) CCCC2) (=O) C3=CC4=C (C=C3O) C=CC=C4
Molecular Formula
C23H22N2O2
Molecular Weight
358.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-hydroxy-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]naphthalene-2-carboxamide
CAS Number332170-67-9
PubChem CID5762446
IUPAC Name3-hydroxy-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]naphthalene-2-carboxamide
Molecular FormulaC23H22N2O2
Molecular Weight358.4
XLogP5.9
Topological Polar Surface Area61.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity561
SMILES
C/C(=N/NC(=O)C1=CC2=CC=CC=C2C=C1O)/C3=CC4=C(CCCC4)C=C3
InChI
InChI=1S/C23H22N2O2/c1-15(17-11-10-16-6-2-3-7-18(16)12-17)24-25-23(27)21-13-19-8-4-5-9-20(19)14-22(21)26/h4-5,8-14,26H,2-3,6-7H2,1H3,(H,25,27)/b24-15-
InChIKey
APMROBZUPYGXKE-IWIPYMOSSA-N
Chemical Structure
2D Structure
2D structure of 3-hydroxy-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]naphthalene-2-carboxamide
CAS: 332170-67-9
CID: 5762446
Formula: C23H22N2O2
MW: 358.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.4
XLogP35.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass358.168127949
Monoisotopic Mass358.168127949
Topological Polar Surface Area61.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity561
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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