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Home > Pyridines > 301169-22-2
301169-22-2 | N-[1-(1H-1,2,3-Benzotriazol-1-yl)-3-phenylpropyl]pyridine-4-carboxamide
CAS No: 301169-22-2 Catalog No: AG01F4VL MDL No:MFCD00965109
Product Description
Catalog Number:
AG01F4VL
Chemical Name:
N-[1-(1H-1,2,3-Benzotriazol-1-yl)-3-phenylpropyl]pyridine-4-carboxamide
CAS Number:
301169-22-2
Molecular Formula:
C21H19N5O
Molecular Weight:
357.4085
MDL Number:
MFCD00965109
IUPAC Name:
N-[1-(benzotriazol-1-yl)-3-phenylpropyl]pyridine-4-carboxamide
InChI:
InChI=1S/C21H19N5O/c27-21(17-12-14-22-15-13-17)23-20(11-10-16-6-2-1-3-7-16)26-19-9-5-4-8-18(19)24-25-26/h1-9,12-15,20H,10-11H2,(H,23,27)
InChI Key:
CLXWTQIVCFXBOY-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1)NC(n1nnc2c1cccc2)CCc1ccccc1
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.159g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.417g/mol
Monoisotopic Mass:
357.159g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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