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Home > Fluorides > 887407-01-4
887407-01-4 | Methyl 1,4-Dihydro-2,6-dimethyl-4-(2'-trifluoromethyl)phenyl-pyridine-5-carboxylate-3-phenylmethyl Carboxamide
CAS No: 887407-01-4 Catalog No: AG004E1K MDL No:
Product Description
Catalog Number:
AG004E1K
Chemical Name:
Methyl 1,4-Dihydro-2,6-dimethyl-4-(2'-trifluoromethyl)phenyl-pyridine-5-carboxylate-3-phenylmethyl Carboxamide
CAS Number:
887407-01-4
Molecular Formula:
C24H23F3N2O3
Molecular Weight:
444.4462
IUPAC Name:
methyl 5-(benzylcarbamoyl)-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
InChI:
InChI=1S/C24H23F3N2O3/c1-14-19(22(30)28-13-16-9-5-4-6-10-16)21(20(15(2)29-14)23(31)32-3)17-11-7-8-12-18(17)24(25,26)27/h4-12,21,29H,13H2,1-3H3,(H,28,30)
InChI Key:
ZUQIRBABJRXWND-UHFFFAOYSA-N
SMILES:
COC(=O)C1=C(C)NC(=C(C1c1ccccc1C(F)(F)F)C(=O)NCc1ccccc1)C
Properties
Complexity:
782
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.166g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
444.454g/mol
Monoisotopic Mass:
444.166g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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