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189349-99-3 | 2-Naphthalenol, 8-[4-[2-(5-methoxy-1H-inden-3-yl)ethyl]-1-piperazinyl]-
CAS No: 189349-99-3 Catalog No: AG002ICP MDL No:
Product Description
Catalog Number:
AG002ICP
Chemical Name:
2-Naphthalenol, 8-[4-[2-(5-methoxy-1H-inden-3-yl)ethyl]-1-piperazinyl]-
CAS Number:
189349-99-3
Molecular Formula:
C26H28N2O2
Molecular Weight:
400.5127
IUPAC Name:
8-[4-[2-(6-methoxy-3H-inden-1-yl)ethyl]piperazin-1-yl]naphthalen-2-ol
InChI:
InChI=1S/C26H28N2O2/c1-30-23-10-8-20-5-6-21(24(20)18-23)11-12-27-13-15-28(16-14-27)26-4-2-3-19-7-9-22(29)17-25(19)26/h2-4,6-10,17-18,29H,5,11-16H2,1H3
InChI Key:
NWFUIEVUWNNMMO-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)C(=CC2)CCN1CCN(CC1)c1cccc2c1cc(O)cc2
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.215g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
400.522g/mol
Monoisotopic Mass:
400.215g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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