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303162-86-9 | Benzenepropanamide, N-[4-[4-(3-methylphenyl)-2-propyl-5-thiazolyl]-2-pyridinyl]-
CAS No: 303162-86-9 Catalog No: AG002ZPX MDL No:
Product Description
Catalog Number:
AG002ZPX
Chemical Name:
Benzenepropanamide, N-[4-[4-(3-methylphenyl)-2-propyl-5-thiazolyl]-2-pyridinyl]-
CAS Number:
303162-86-9
Molecular Formula:
C27H27N3OS
Molecular Weight:
441.5878
IUPAC Name:
N-[4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]pyridin-2-yl]-3-phenylpropanamide
InChI:
InChI=1S/C27H27N3OS/c1-3-8-25-30-26(21-12-7-9-19(2)17-21)27(32-25)22-15-16-28-23(18-22)29-24(31)14-13-20-10-5-4-6-11-20/h4-7,9-12,15-18H,3,8,13-14H2,1-2H3,(H,28,29,31)
InChI Key:
PMPPDEOJNIKDEQ-UHFFFAOYSA-N
SMILES:
CCCc1nc(c(s1)c1ccnc(c1)NC(=O)CCc1ccccc1)c1cccc(c1)C
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.187g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
441.593g/mol
Monoisotopic Mass:
441.187g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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