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20811-86-3 | Benzenepropanoic acid, β-phenyl-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
CAS No: 20811-86-3 Catalog No: AG002JHN MDL No:
Product Description
Catalog Number:
AG002JHN
Chemical Name:
Benzenepropanoic acid, β-phenyl-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
CAS Number:
20811-86-3
Molecular Formula:
C23H27NO2
Molecular Weight:
349.4660
IUPAC Name:
3-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)phenyl]-3-phenylpropanoic acid
InChI:
InChI=1S/C23H27NO2/c1-24-20-10-11-21(24)14-19(13-20)17-8-5-9-18(12-17)22(15-23(25)26)16-6-3-2-4-7-16/h2-9,12,19-22H,10-11,13-15H2,1H3,(H,25,26)
InChI Key:
LKUIWRRZERHFOB-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccccc1)c1cccc(c1)C1CC2CCC(C1)N2C
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.204g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.474g/mol
Monoisotopic Mass:
349.204g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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