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821783-95-3 | Pyrazinamine, 5-benzo[b]thien-2-yl-N-[2-(4-pyridinyl)ethyl]-
CAS No: 821783-95-3 Catalog No: AG005I9Z MDL No:
Product Description
Catalog Number:
AG005I9Z
Chemical Name:
Pyrazinamine, 5-benzo[b]thien-2-yl-N-[2-(4-pyridinyl)ethyl]-
CAS Number:
821783-95-3
Molecular Formula:
C19H16N4S
Molecular Weight:
332.4221
IUPAC Name:
5-(1-benzothiophen-2-yl)-N-(2-pyridin-4-ylethyl)pyrazin-2-amine
InChI:
InChI=1S/C19H16N4S/c1-2-4-17-15(3-1)11-18(24-17)16-12-23-19(13-22-16)21-10-7-14-5-8-20-9-6-14/h1-6,8-9,11-13H,7,10H2,(H,21,23)
InChI Key:
LZHSSLFNBGDQAE-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)CCNc1cnc(cn1)c1cc2c(s1)cccc2
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.11g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.425g/mol
Monoisotopic Mass:
332.11g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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