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300799-35-3 | 4-(2-Bromo-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid pentyl ester
CAS No: 300799-35-3 Catalog No: AG01F2WR MDL No:
Product Description
Catalog Number:
AG01F2WR
Chemical Name:
4-(2-Bromo-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid pentyl ester
CAS Number:
300799-35-3
Molecular Formula:
C17H21BrN2O3
Molecular Weight:
381.2642
IUPAC Name:
pentyl 4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C17H21BrN2O3/c1-3-4-7-10-23-16(21)14-11(2)19-17(22)20-15(14)12-8-5-6-9-13(12)18/h5-6,8-9,15H,3-4,7,10H2,1-2H3,(H2,19,20,22)
InChI Key:
QVROYWLYFKFIGF-UHFFFAOYSA-N
SMILES:
CCCCCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1Br
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.074g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
381.27g/mol
Monoisotopic Mass:
380.074g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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