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Home > Indoles and Oxindole > 81252-99-5
81252-99-5 | 3,3-DIPHENYL-5-METHOXY-1-(PIPERIDIN-1-YLMETHYL)-2-INDOLINONE
CAS No: 81252-99-5 Catalog No: AG004Z4U MDL No:
Product Description
Catalog Number:
AG004Z4U
Chemical Name:
3,3-DIPHENYL-5-METHOXY-1-(PIPERIDIN-1-YLMETHYL)-2-INDOLINONE
CAS Number:
81252-99-5
Molecular Formula:
C27H28N2O2
Molecular Weight:
412.5234
IUPAC Name:
5-methoxy-3,3-diphenyl-1-(piperidin-1-ylmethyl)indol-2-one
InChI:
InChI=1S/C27H28N2O2/c1-31-23-15-16-25-24(19-23)27(21-11-5-2-6-12-21,22-13-7-3-8-14-22)26(30)29(25)20-28-17-9-4-10-18-28/h2-3,5-8,11-16,19H,4,9-10,17-18,20H2,1H3
InChI Key:
ACZOWMLCQSEUDN-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)C(=O)N2CN1CCCCC1
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.215g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.533g/mol
Monoisotopic Mass:
412.215g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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