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144466-08-0 | 1-Piperazinecarboxamide, 4-(4,4-diphenylbutyl)-
CAS No: 144466-08-0 Catalog No: AG001JL2 MDL No:
Product Description
Catalog Number:
AG001JL2
Chemical Name:
1-Piperazinecarboxamide, 4-(4,4-diphenylbutyl)-
CAS Number:
144466-08-0
Molecular Formula:
C21H27N3O
Molecular Weight:
337.4586
IUPAC Name:
4-(4,4-diphenylbutyl)piperazine-1-carboxamide
InChI:
InChI=1S/C21H27N3O/c22-21(25)24-16-14-23(15-17-24)13-7-12-20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H2,22,25)
InChI Key:
RJJCCOBZNIUHNE-UHFFFAOYSA-N
SMILES:
NC(=O)N1CCN(CC1)CCCC(c1ccccc1)c1ccccc1
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.215g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.467g/mol
Monoisotopic Mass:
337.215g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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