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251992-92-4 | Thieno[2,3-c]pyridine-2-carboxamide, 4-[(4-bromophenyl)thio]-
CAS No: 251992-92-4 Catalog No: AG002QUT MDL No:
Product Description
Catalog Number:
AG002QUT
Chemical Name:
Thieno[2,3-c]pyridine-2-carboxamide, 4-[(4-bromophenyl)thio]-
CAS Number:
251992-92-4
Molecular Formula:
C14H9BrN2OS2
Molecular Weight:
365.2681
IUPAC Name:
4-(4-bromophenyl)sulfanylthieno[2,3-c]pyridine-2-carboxamide
InChI:
InChI=1S/C14H9BrN2OS2/c15-8-1-3-9(4-2-8)19-12-6-17-7-13-10(12)5-11(20-13)14(16)18/h1-7H,(H2,16,18)
InChI Key:
BSSKWUVAKNLPJS-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)Sc1cncc2c1cc(s2)C(=O)N
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.934g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.263g/mol
Monoisotopic Mass:
363.934g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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