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140688-62-6 | 1-Pyrazolidinecarboxamide, N-(4-bromophenyl)-4-butyl-3-oxo-5-phenyl-
CAS No: 140688-62-6 Catalog No: AG001CP4 MDL No:
Product Description
Catalog Number:
AG001CP4
Chemical Name:
1-Pyrazolidinecarboxamide, N-(4-bromophenyl)-4-butyl-3-oxo-5-phenyl-
CAS Number:
140688-62-6
Molecular Formula:
C20H22BrN3O2
Molecular Weight:
416.3116
IUPAC Name:
N-(4-bromophenyl)-4-butyl-3-oxo-5-phenylpyrazolidine-1-carboxamide
InChI:
InChI=1S/C20H22BrN3O2/c1-2-3-9-17-18(14-7-5-4-6-8-14)24(23-19(17)25)20(26)22-16-12-10-15(21)11-13-16/h4-8,10-13,17-18H,2-3,9H2,1H3,(H,22,26)(H,23,25)
InChI Key:
NGCCHJJVXNSWPT-UHFFFAOYSA-N
SMILES:
CCCCC1C(=O)NN(C1c1ccccc1)C(=O)Nc1ccc(cc1)Br
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.09g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
416.319g/mol
Monoisotopic Mass:
415.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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