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Home > Pyridines > 138768-28-2
138768-28-2 | 3-Pyridinecarboxamide, N-(1H-benzotriazol-1-ylphenylmethyl)-
CAS No: 138768-28-2 Catalog No: AG0019I7 MDL No:
Product Description
Catalog Number:
AG0019I7
Chemical Name:
3-Pyridinecarboxamide, N-(1H-benzotriazol-1-ylphenylmethyl)-
CAS Number:
138768-28-2
Molecular Formula:
C19H15N5O
Molecular Weight:
329.3553
IUPAC Name:
N-[benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide
InChI:
InChI=1S/C19H15N5O/c25-19(15-9-6-12-20-13-15)21-18(14-7-2-1-3-8-14)24-17-11-5-4-10-16(17)22-23-24/h1-13,18H,(H,21,25)
InChI Key:
BABUDAQOHSIBJR-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)NC(n1nnc2c1cccc2)c1ccccc1
Properties
Complexity:
453
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.363g/mol
Monoisotopic Mass:
329.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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