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Home > Pyridines > 303162-88-1
303162-88-1 | Benzenepropanamide, N-[4-[2-butyl-4-(3-methylphenyl)-5-thiazolyl]-2-pyridinyl]-
CAS No: 303162-88-1 Catalog No: AG002ZPV MDL No:
Product Description
Catalog Number:
AG002ZPV
Chemical Name:
Benzenepropanamide, N-[4-[2-butyl-4-(3-methylphenyl)-5-thiazolyl]-2-pyridinyl]-
CAS Number:
303162-88-1
Molecular Formula:
C28H29N3OS
Molecular Weight:
455.6144
IUPAC Name:
N-[4-[2-butyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl]-3-phenylpropanamide
InChI:
InChI=1S/C28H29N3OS/c1-3-4-13-26-31-27(22-12-8-9-20(2)18-22)28(33-26)23-16-17-29-24(19-23)30-25(32)15-14-21-10-6-5-7-11-21/h5-12,16-19H,3-4,13-15H2,1-2H3,(H,29,30,32)
InChI Key:
VEZJXQNKSYPLCY-UHFFFAOYSA-N
SMILES:
CCCCc1sc(c(n1)c1cccc(c1)C)c1ccnc(c1)NC(=O)CCc1ccccc1
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.203g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
455.62g/mol
Monoisotopic Mass:
455.203g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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