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138681-30-8 | 2-Piperazinecarboxamide, 1,4-bis(1-phenylethyl)-
CAS No: 138681-30-8 Catalog No: AG0018ZH MDL No:
Product Description
Catalog Number:
AG0018ZH
Chemical Name:
2-Piperazinecarboxamide, 1,4-bis(1-phenylethyl)-
CAS Number:
138681-30-8
Molecular Formula:
C21H27N3O
Molecular Weight:
337.4586
IUPAC Name:
1,4-bis(1-phenylethyl)piperazine-2-carboxamide
InChI:
InChI=1S/C21H27N3O/c1-16(18-9-5-3-6-10-18)23-13-14-24(20(15-23)21(22)25)17(2)19-11-7-4-8-12-19/h3-12,16-17,20H,13-15H2,1-2H3,(H2,22,25)
InChI Key:
YPCWXLLTXPVAIR-UHFFFAOYSA-N
SMILES:
CC(N1CCN(C(C1)C(=O)N)C(c1ccccc1)C)c1ccccc1
Properties
Complexity:
429
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.467g/mol
Monoisotopic Mass:
337.215g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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