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Home > Pyridines > 478029-11-7
478029-11-7 | 4,6-dimethyl-N'-[(1E)-(4-methylphenyl)methylidene]-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide
CAS No: 478029-11-7 Catalog No: AG00IXUA MDL No:MFCD02186602
Product Description
Catalog Number:
AG00IXUA
Chemical Name:
4,6-dimethyl-N'-[(1E)-(4-methylphenyl)methylidene]-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carbohydrazide
CAS Number:
478029-11-7
Molecular Formula:
C22H20N4OS
Molecular Weight:
388.4854
MDL Number:
MFCD02186602
IUPAC Name:
4,6-dimethyl-N-[(E)-(4-methylphenyl)methylideneamino]-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
InChI:
InChI=1S/C22H20N4OS/c1-14-6-8-17(9-7-14)13-23-25-21(27)20-19(26-10-4-5-11-26)18-15(2)12-16(3)24-22(18)28-20/h4-13H,1-3H3,(H,25,27)/b23-13+
InChI Key:
QKBKJXLNGDHDRW-YDZHTSKRSA-N
SMILES:
Cc1ccc(cc1)/C=N/NC(=O)c1sc2c(c1n1cccc1)c(C)cc(n2)C
Properties
Complexity:
571
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
388.136g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
388.489g/mol
Monoisotopic Mass:
388.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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