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823785-84-8 | 2-Pyrrolidinone, 3-cyclohexylidene-1,5-bis(phenylmethyl)-, (5S)-
CAS No: 823785-84-8 Catalog No: AG005D76 MDL No:
Product Description
Catalog Number:
AG005D76
Chemical Name:
2-Pyrrolidinone, 3-cyclohexylidene-1,5-bis(phenylmethyl)-, (5S)-
CAS Number:
823785-84-8
Molecular Formula:
C24H27NO
Molecular Weight:
345.4773
IUPAC Name:
(5S)-1,5-dibenzyl-3-cyclohexylidenepyrrolidin-2-one
InChI:
InChI=1S/C24H27NO/c26-24-23(21-14-8-3-9-15-21)17-22(16-19-10-4-1-5-11-19)25(24)18-20-12-6-2-7-13-20/h1-2,4-7,10-13,22H,3,8-9,14-18H2/t22-/m0/s1
InChI Key:
ZBKBRKHETZHVQZ-QFIPXVFZSA-N
SMILES:
O=C1N(Cc2ccccc2)[C@H](CC1=C1CCCCC1)Cc1ccccc1
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
345.209g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.486g/mol
Monoisotopic Mass:
345.209g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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