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303162-95-0 | 2-Thiophenecarboxamide, N-[4-[4-(3-methylphenyl)-2-[4-(methylthio)phenyl]-5-thiazolyl]-2-pyridinyl]-
CAS No: 303162-95-0 Catalog No: AG002ZPP MDL No:
Product Description
Catalog Number:
AG002ZPP
Chemical Name:
2-Thiophenecarboxamide, N-[4-[4-(3-methylphenyl)-2-[4-(methylthio)phenyl]-5-thiazolyl]-2-pyridinyl]-
CAS Number:
303162-95-0
Molecular Formula:
C27H21N3OS3
Molecular Weight:
499.6701
IUPAC Name:
N-[4-[4-(3-methylphenyl)-2-(4-methylthiophen-2-yl)-1,3-thiazol-5-yl]pyridin-2-yl]thiophene-2-carboxamide
InChI:
InChI=1S/C25H19N3OS3/c1-15-5-3-6-17(11-15)22-23(32-25(28-22)20-12-16(2)14-31-20)18-8-9-26-21(13-18)27-24(29)19-7-4-10-30-19/h3-14H,1-2H3,(H,26,27,29)
InChI Key:
GVPJGROQEKTDJD-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1sc(c(n1)c1cccc(c1)C)c1ccnc(c1)NC(=O)c1cccs1
Properties
Complexity:
652
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.069g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
473.627g/mol
Monoisotopic Mass:
473.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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