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301317-58-8 | 4-(2-Bromo-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid 3-methyl-cyclohexyl ester
CAS No: 301317-58-8 Catalog No: AG01F2LC MDL No:
Product Description
Catalog Number:
AG01F2LC
Chemical Name:
4-(2-Bromo-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid 3-methyl-cyclohexyl ester
CAS Number:
301317-58-8
Molecular Formula:
C19H23BrN2O3
Molecular Weight:
407.3015
IUPAC Name:
(3-methylcyclohexyl) 4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C19H23BrN2O3/c1-11-6-5-7-13(10-11)25-18(23)16-12(2)21-19(24)22-17(16)14-8-3-4-9-15(14)20/h3-4,8-9,11,13,17H,5-7,10H2,1-2H3,(H2,21,22,24)
InChI Key:
QXMCJKMSZUXECC-UHFFFAOYSA-N
SMILES:
CC1CCCC(C1)OC(=O)C1=C(C)NC(=O)NC1c1ccccc1Br
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.089g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
407.308g/mol
Monoisotopic Mass:
406.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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