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823792-90-1 | 5-Pyrimidinecarboxylic acid, 4-(dimethylamino)-2-phenyl-, hexyl ester
CAS No: 823792-90-1 Catalog No: AG0053ET MDL No:
Product Description
Catalog Number:
AG0053ET
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-(dimethylamino)-2-phenyl-, hexyl ester
CAS Number:
823792-90-1
Molecular Formula:
C19H25N3O2
Molecular Weight:
327.4207
IUPAC Name:
hexyl 4-(dimethylamino)-2-phenylpyrimidine-5-carboxylate
InChI:
InChI=1S/C19H25N3O2/c1-4-5-6-10-13-24-19(23)16-14-20-17(21-18(16)22(2)3)15-11-8-7-9-12-15/h7-9,11-12,14H,4-6,10,13H2,1-3H3
InChI Key:
KIZJDNDMMXRNQS-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)c1cnc(nc1N(C)C)c1ccccc1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.195g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.428g/mol
Monoisotopic Mass:
327.195g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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