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Home > Pyridines > 672950-56-0
672950-56-0 | 3-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-1-(2-methylphenyl)urea
CAS No: 672950-56-0 Catalog No: AG00IPW7 MDL No:MFCD02571127
Product Description
Catalog Number:
AG00IPW7
Chemical Name:
3-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-1-(2-methylphenyl)urea
CAS Number:
672950-56-0
Molecular Formula:
C21H20N4OS
Molecular Weight:
376.4747
MDL Number:
MFCD02571127
IUPAC Name:
1-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-3-(2-methylphenyl)urea
InChI:
InChI=1S/C21H20N4OS/c1-13-8-4-5-9-16(13)23-21(26)24-20-18(25-10-6-7-11-25)17-14(2)12-15(3)22-19(17)27-20/h4-12H,1-3H3,(H2,23,24,26)
InChI Key:
ZXFJMGDPDWIUNC-UHFFFAOYSA-N
SMILES:
O=C(Nc1sc2c(c1n1cccc1)c(C)cc(n2)C)Nc1ccccc1C
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.136g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
376.478g/mol
Monoisotopic Mass:
376.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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