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102207-80-7 | 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-phenyl-, 1-(phenylamino)ethyl ester
CAS No: 102207-80-7 Catalog No: AG0006XG MDL No:
Product Description
Catalog Number:
AG0006XG
Chemical Name:
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-phenyl-, 1-(phenylamino)ethyl ester
CAS Number:
102207-80-7
Molecular Formula:
C20H21N3O3
Molecular Weight:
351.3990
IUPAC Name:
2-anilinoethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C20H21N3O3/c1-14-17(18(23-20(25)22-14)15-8-4-2-5-9-15)19(24)26-13-12-21-16-10-6-3-7-11-16/h2-11,18,21H,12-13H2,1H3,(H2,22,23,25)
InChI Key:
GONLRMKWWVKHAN-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C1=C(C)NC(=O)NC1c1ccccc1)Nc1ccccc1
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.158g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
351.406g/mol
Monoisotopic Mass:
351.158g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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