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303162-81-4 | Benzenepropanamide, N-[4-[2-ethyl-4-(3-methylphenyl)-5-thiazolyl]-2-pyridinyl]-4-methoxy-
CAS No: 303162-81-4 Catalog No: AG002ZQ0 MDL No:
Product Description
Catalog Number:
AG002ZQ0
Chemical Name:
Benzenepropanamide, N-[4-[2-ethyl-4-(3-methylphenyl)-5-thiazolyl]-2-pyridinyl]-4-methoxy-
CAS Number:
303162-81-4
Molecular Formula:
C27H27N3O2S
Molecular Weight:
457.5872
IUPAC Name:
N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl]-3-(4-methoxyphenyl)propanamide
InChI:
InChI=1S/C27H27N3O2S/c1-4-25-30-26(20-7-5-6-18(2)16-20)27(33-25)21-14-15-28-23(17-21)29-24(31)13-10-19-8-11-22(32-3)12-9-19/h5-9,11-12,14-17H,4,10,13H2,1-3H3,(H,28,29,31)
InChI Key:
CKUNYUGWEQFDJQ-UHFFFAOYSA-N
SMILES:
CCc1sc(c(n1)c1cccc(c1)C)c1ccnc(c1)NC(=O)CCc1ccc(cc1)OC
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.182g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
457.592g/mol
Monoisotopic Mass:
457.182g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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