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303162-87-0 | Benzamide, N-[4-[2-butyl-4-(3-methylphenyl)-5-thiazolyl]-2-pyridinyl]-
CAS No: 303162-87-0 Catalog No: AG002ZPW MDL No:
Product Description
Catalog Number:
AG002ZPW
Chemical Name:
Benzamide, N-[4-[2-butyl-4-(3-methylphenyl)-5-thiazolyl]-2-pyridinyl]-
CAS Number:
303162-87-0
Molecular Formula:
C26H25N3OS
Molecular Weight:
427.5612
IUPAC Name:
N-[4-[2-butyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl]benzamide
InChI:
InChI=1S/C26H25N3OS/c1-3-4-13-23-29-24(20-12-8-9-18(2)16-20)25(31-23)21-14-15-27-22(17-21)28-26(30)19-10-6-5-7-11-19/h5-12,14-17H,3-4,13H2,1-2H3,(H,27,28,30)
InChI Key:
CMSCQBAHJRZXDI-UHFFFAOYSA-N
SMILES:
CCCCc1sc(c(n1)c1cccc(c1)C)c1ccnc(c1)NC(=O)c1ccccc1
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.172g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
427.566g/mol
Monoisotopic Mass:
427.172g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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