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113932-91-5 | 2-Pyrrolidinone, 1-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-4-phenyl-
CAS No: 113932-91-5 Catalog No: AG000A41 MDL No:
Product Description
Catalog Number:
AG000A41
Chemical Name:
2-Pyrrolidinone, 1-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-4-phenyl-
CAS Number:
113932-91-5
Molecular Formula:
C23H27N3O2
Molecular Weight:
377.4794
IUPAC Name:
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one
InChI:
InChI=1S/C23H27N3O2/c27-22-15-21(20-9-5-2-6-10-20)17-26(22)18-23(28)25-13-11-24(12-14-25)16-19-7-3-1-4-8-19/h1-10,21H,11-18H2
InChI Key:
YYGXJAZDSUCXJA-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)Cc1ccccc1)CN1CC(CC1=O)c1ccccc1
Properties
Complexity:
532
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.21g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.488g/mol
Monoisotopic Mass:
377.21g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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