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306990-92-1 | N-[(2E)-1-(1H-1,2,3-Benzotriazol-1-ylmethyl)-1,2-dihydropyridin-2-ylidene]benzamide
CAS No: 306990-92-1 Catalog No: AG01F3LY MDL No:
Product Description
Catalog Number:
AG01F3LY
Chemical Name:
N-[(2E)-1-(1H-1,2,3-Benzotriazol-1-ylmethyl)-1,2-dihydropyridin-2-ylidene]benzamide
CAS Number:
306990-92-1
Molecular Formula:
C19H15N5O
Molecular Weight:
329.3553
IUPAC Name:
N-[1-(benzotriazol-1-ylmethyl)pyridin-2-ylidene]benzamide
InChI:
InChI=1S/C19H15N5O/c25-19(15-8-2-1-3-9-15)20-18-12-6-7-13-23(18)14-24-17-11-5-4-10-16(17)21-22-24/h1-13H,14H2
InChI Key:
OEFZICYKKHNIRJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)/N=c/1\ccccn1Cn1nnc2c1cccc2
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.128g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.363g/mol
Monoisotopic Mass:
329.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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