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42595-88-0 | 3-Morpholinone,4-[2-(1-ethyl-5-oxo-4,4-diphenyl-3-pyrrolidinyl)ethyl]-
CAS No: 42595-88-0 Catalog No: AG003JS9 MDL No:MFCD30343611
Product Description
Catalog Number:
AG003JS9
Chemical Name:
3-Morpholinone,4-[2-(1-ethyl-5-oxo-4,4-diphenyl-3-pyrrolidinyl)ethyl]-
CAS Number:
42595-88-0
Molecular Formula:
C24H28N2O3
Molecular Weight:
392.4907
MDL Number:
MFCD30343611
IUPAC Name:
4-[2-(1-ethyl-5-oxo-4,4-diphenylpyrrolidin-3-yl)ethyl]morpholin-3-one
InChI:
InChI=1S/C24H28N2O3/c1-2-25-17-21(13-14-26-15-16-29-18-22(26)27)24(23(25)28,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21H,2,13-18H2,1H3
InChI Key:
LLCHHQQQMSDZLP-UHFFFAOYSA-N
SMILES:
CCN1CC(C(C1=O)(c1ccccc1)c1ccccc1)CCN1CCOCC1=O
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.21g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.499g/mol
Monoisotopic Mass:
392.21g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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