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832081-85-3 | 2-Quinoxalinamine, N-[(4-methylphenyl)methyl]-3-(2-thienyl)-
CAS No: 832081-85-3 Catalog No: AG004ZZ3 MDL No:
Product Description
Catalog Number:
AG004ZZ3
Chemical Name:
2-Quinoxalinamine, N-[(4-methylphenyl)methyl]-3-(2-thienyl)-
CAS Number:
832081-85-3
Molecular Formula:
C20H17N3S
Molecular Weight:
331.4341
IUPAC Name:
N-[(4-methylphenyl)methyl]-3-thiophen-2-ylquinoxalin-2-amine
InChI:
InChI=1S/C20H17N3S/c1-14-8-10-15(11-9-14)13-21-20-19(18-7-4-12-24-18)22-16-5-2-3-6-17(16)23-20/h2-12H,13H2,1H3,(H,21,23)
InChI Key:
BQMZVAIGUAMTPC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)CNc1nc2ccccc2nc1c1cccs1
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.114g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.437g/mol
Monoisotopic Mass:
331.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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