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Home > Pyridines > 325736-93-4
325736-93-4 | (2Z)-1-(1H-1,2,3-Benzotriazol-1-ylmethyl)-N-[(1E)-2-phenylprop-1-en-1-yl]-1,2-dihydropyridin-2-imine
CAS No: 325736-93-4 Catalog No: AG01EUX8 MDL No:
Product Description
Catalog Number:
AG01EUX8
Chemical Name:
(2Z)-1-(1H-1,2,3-Benzotriazol-1-ylmethyl)-N-[(1E)-2-phenylprop-1-en-1-yl]-1,2-dihydropyridin-2-imine
CAS Number:
325736-93-4
Molecular Formula:
C21H19N5
Molecular Weight:
341.4091
IUPAC Name:
1-(benzotriazol-1-ylmethyl)-N-[(E)-2-phenylprop-1-enyl]pyridin-2-imine
InChI:
InChI=1S/C21H19N5/c1-17(18-9-3-2-4-10-18)15-22-21-13-7-8-14-25(21)16-26-20-12-6-5-11-19(20)23-24-26/h2-15H,16H2,1H3/b17-15+,22-21?
InChI Key:
HWVSPUPMJWUNIP-ROXKTMKSSA-N
SMILES:
C/C(=C\N=c/1\ccccn1Cn1nnc2c1cccc2)/c1ccccc1
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
341.164g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.418g/mol
Monoisotopic Mass:
341.164g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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