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827625-18-3 | Quinoline, 2-(1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-ylmethyl)-
CAS No: 827625-18-3 Catalog No: AG008IK1 MDL No:
Product Description
Catalog Number:
AG008IK1
Chemical Name:
Quinoline, 2-(1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-ylmethyl)-
CAS Number:
827625-18-3
Molecular Formula:
C22H33N3O4
Molecular Weight:
403.5151
IUPAC Name:
7-(quinolin-2-ylmethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
InChI:
InChI=1S/C22H33N3O4/c1-2-4-22-20(3-1)5-6-21(24-22)19-25-9-13-28-17-15-26-11-7-23-8-12-27-16-18-29-14-10-25/h1-6,23H,7-19H2
InChI Key:
CCQDEUYSYFYUQT-UHFFFAOYSA-N
SMILES:
C1CNCCOCCOCCN(CCOCCO1)Cc1ccc2c(n1)cccc2
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.247g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
403.523g/mol
Monoisotopic Mass:
403.247g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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