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315179-67-0 | N-[2-(1H-1,2,3-Benzotriazol-1-yl)-1-(pyridin-3-yl)but-3-en-1-yl]aniline
CAS No: 315179-67-0 Catalog No: AG01F4VP MDL No:
Product Description
Catalog Number:
AG01F4VP
Chemical Name:
N-[2-(1H-1,2,3-Benzotriazol-1-yl)-1-(pyridin-3-yl)but-3-en-1-yl]aniline
CAS Number:
315179-67-0
Molecular Formula:
C21H19N5
Molecular Weight:
341.4091
IUPAC Name:
N-[2-(benzotriazol-1-yl)-1-pyridin-3-ylbut-3-enyl]aniline
InChI:
InChI=1S/C21H19N5/c1-2-19(26-20-13-7-6-12-18(20)24-25-26)21(16-9-8-14-22-15-16)23-17-10-4-3-5-11-17/h2-15,19,21,23H,1H2
InChI Key:
YWOBMXDCYMCZIO-UHFFFAOYSA-N
SMILES:
C=CC(n1nnc2c1cccc2)C(c1cccnc1)Nc1ccccc1
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.164g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.418g/mol
Monoisotopic Mass:
341.164g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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