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821783-98-6 | Pyrazinamine, 5-(4-pyridinyl)-N-(2-thienylmethyl)-
CAS No: 821783-98-6 Catalog No: AG005794 MDL No:
Product Description
Catalog Number:
AG005794
Chemical Name:
Pyrazinamine, 5-(4-pyridinyl)-N-(2-thienylmethyl)-
CAS Number:
821783-98-6
Molecular Formula:
C14H12N4S
Molecular Weight:
268.3369
IUPAC Name:
5-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrazin-2-amine
InChI:
InChI=1S/C14H12N4S/c1-2-12(19-7-1)8-17-14-10-16-13(9-18-14)11-3-5-15-6-4-11/h1-7,9-10H,8H2,(H,17,18)
InChI Key:
FZNGQVBOWZHMTR-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)c1cnc(cn1)NCc1cccs1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.338g/mol
Monoisotopic Mass:
268.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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