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303162-78-9 | Benzeneacetamide, N-[4-[4-(3-methylphenyl)-2-[4-(methylthio)phenyl]-5-thiazolyl]-2-pyridinyl]-
CAS No: 303162-78-9 Catalog No: AG002ZOQ MDL No:
Product Description
Catalog Number:
AG002ZOQ
Chemical Name:
Benzeneacetamide, N-[4-[4-(3-methylphenyl)-2-[4-(methylthio)phenyl]-5-thiazolyl]-2-pyridinyl]-
CAS Number:
303162-78-9
Molecular Formula:
C30H25N3OS2
Molecular Weight:
507.6690
IUPAC Name:
N-[4-[4-(3-methylphenyl)-2-(4-methylthiophen-2-yl)-1,3-thiazol-5-yl]pyridin-2-yl]-2-phenylacetamide
InChI:
InChI=1S/C28H23N3OS2/c1-18-7-6-10-21(13-18)26-27(34-28(31-26)23-14-19(2)17-33-23)22-11-12-29-24(16-22)30-25(32)15-20-8-4-3-5-9-20/h3-14,16-17H,15H2,1-2H3,(H,29,30,32)
InChI Key:
VLOCCTWJNZCTTB-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1sc(c(n1)c1cccc(c1)C)c1ccnc(c1)NC(=O)Cc1ccccc1
Properties
Complexity:
672
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.128g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
481.632g/mol
Monoisotopic Mass:
481.128g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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