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303163-22-6 | 2-Thiophenecarboxamide, N-[4-[4-(3-methylphenyl)-2-[4-(methylsulfonyl)phenyl]-5-thiazolyl]-2-pyridinyl]-
CAS No: 303163-22-6 Catalog No: AG002ZQH MDL No:
Product Description
Catalog Number:
AG002ZQH
Chemical Name:
2-Thiophenecarboxamide, N-[4-[4-(3-methylphenyl)-2-[4-(methylsulfonyl)phenyl]-5-thiazolyl]-2-pyridinyl]-
CAS Number:
303163-22-6
Molecular Formula:
C27H21N3O3S3
Molecular Weight:
531.6689
IUPAC Name:
N-[4-[4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl]thiophene-2-carboxamide
InChI:
InChI=1S/C27H21N3O3S3/c1-17-5-3-6-19(15-17)24-25(35-27(30-24)18-8-10-21(11-9-18)36(2,32)33)20-12-13-28-23(16-20)29-26(31)22-7-4-14-34-22/h3-16H,1-2H3,(H,28,29,31)
InChI Key:
LWSVAMUUIMWDGI-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1nc(sc1c1ccnc(c1)NC(=O)c1cccs1)c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
858
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
531.075g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
531.663g/mol
Monoisotopic Mass:
531.075g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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