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300360-05-8 | 4-(6-Bromo-benzo[1,3]dioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid 2-ethyl-butyl ester
CAS No: 300360-05-8 Catalog No: AG01F2IF MDL No:
Product Description
Catalog Number:
AG01F2IF
Chemical Name:
4-(6-Bromo-benzo[1,3]dioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid 2-ethyl-butyl ester
CAS Number:
300360-05-8
Molecular Formula:
C19H23BrN2O5
Molecular Weight:
439.3003
IUPAC Name:
2-ethylbutyl 4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
InChI:
InChI=1S/C19H23BrN2O5/c1-4-11(5-2)8-25-18(23)16-10(3)21-19(24)22-17(16)12-6-14-15(7-13(12)20)27-9-26-14/h6-7,11,17H,4-5,8-9H2,1-3H3,(H2,21,22,24)
InChI Key:
YCEFGZULGZDMMQ-UHFFFAOYSA-N
SMILES:
CCC(COC(=O)C1=C(C)NC(=O)NC1c1cc2OCOc2cc1Br)CC
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.079g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
439.306g/mol
Monoisotopic Mass:
438.079g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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