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300360-02-5 | 4-(2-Bromo-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid 2-ethyl-butyl ester
CAS No: 300360-02-5 Catalog No: AG01F2P1 MDL No:
Product Description
Catalog Number:
AG01F2P1
Chemical Name:
4-(2-Bromo-phenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid 2-ethyl-butyl ester
CAS Number:
300360-02-5
Molecular Formula:
C18H23BrN2O3
Molecular Weight:
395.2908
IUPAC Name:
2-ethylbutyl 4-(2-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C18H23BrN2O3/c1-4-12(5-2)10-24-17(22)15-11(3)20-18(23)21-16(15)13-8-6-7-9-14(13)19/h6-9,12,16H,4-5,10H2,1-3H3,(H2,20,21,23)
InChI Key:
UXAKHQIRYFHHFR-UHFFFAOYSA-N
SMILES:
CCC(COC(=O)C1=C(C)NC(=O)NC1c1ccccc1Br)CC
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.089g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
395.297g/mol
Monoisotopic Mass:
394.089g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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