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131230-89-2 | 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-[3-(1H-imidazol-1-yl)phenyl]-2,6-dimethyl-, 3,5-diethyl ester
CAS No: 131230-89-2 Catalog No: AG000VRC MDL No:
Product Description
Catalog Number:
AG000VRC
Chemical Name:
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-[3-(1H-imidazol-1-yl)phenyl]-2,6-dimethyl-, 3,5-diethyl ester
CAS Number:
131230-89-2
Molecular Formula:
C22H25N3O4
Molecular Weight:
395.4516
IUPAC Name:
diethyl 4-(3-imidazol-1-ylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
InChI:
InChI=1S/C22H25N3O4/c1-5-28-21(26)18-14(3)24-15(4)19(22(27)29-6-2)20(18)16-8-7-9-17(12-16)25-11-10-23-13-25/h7-13,20,24H,5-6H2,1-4H3
InChI Key:
CLJPJDINAQKALO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(C)NC(=C(C1c1cccc(c1)n1cncc1)C(=O)OCC)C
Properties
Complexity:
660
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.185g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
395.459g/mol
Monoisotopic Mass:
395.185g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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