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823794-32-7 | 5-Pyrimidinecarboxylic acid, 2,4-diphenyl-6-(1-piperidinyl)-, ethyl ester
CAS No: 823794-32-7 Catalog No: AG0053BO MDL No:
Product Description
Catalog Number:
AG0053BO
Chemical Name:
5-Pyrimidinecarboxylic acid, 2,4-diphenyl-6-(1-piperidinyl)-, ethyl ester
CAS Number:
823794-32-7
Molecular Formula:
C24H25N3O2
Molecular Weight:
387.4742
IUPAC Name:
ethyl 2,4-diphenyl-6-piperidin-1-ylpyrimidine-5-carboxylate
InChI:
InChI=1S/C24H25N3O2/c1-2-29-24(28)20-21(18-12-6-3-7-13-18)25-22(19-14-8-4-9-15-19)26-23(20)27-16-10-5-11-17-27/h3-4,6-9,12-15H,2,5,10-11,16-17H2,1H3
InChI Key:
FMUZEKVVGYBFGI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(nc(nc1c1ccccc1)c1ccccc1)N1CCCCC1
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.195g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.483g/mol
Monoisotopic Mass:
387.195g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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