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1325305-13-2 | 1-[3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbonyl]-1H-imidazole
CAS No: 1325305-13-2 Catalog No: AG00J0KN MDL No:MFCD19105030
Product Description
Catalog Number:
AG00J0KN
Chemical Name:
1-[3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbonyl]-1H-imidazole
CAS Number:
1325305-13-2
Molecular Formula:
C15H10N4OS
Molecular Weight:
294.3311
MDL Number:
MFCD19105030
IUPAC Name:
imidazol-1-yl-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone
InChI:
InChI=1S/C15H10N4OS/c20-15(19-9-6-16-10-19)13-12(18-7-1-2-8-18)11-4-3-5-17-14(11)21-13/h1-10H
InChI Key:
JKDRPAAKYDVDFL-UHFFFAOYSA-N
SMILES:
O=C(c1sc2c(c1n1cccc1)cccn2)n1ccnc1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.058g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.332g/mol
Monoisotopic Mass:
294.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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