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343372-33-8 | 2,2'-[1-OXA-4,10,16-TRITHIA-7,13-DIAZACYCLOOCTADECANE-7,13-DIYLBIS(METHYLENE)]BIS-8-QUINOLINOL
CAS No: 343372-33-8 Catalog No: AG00BZFY MDL No:
Product Description
Catalog Number:
AG00BZFY
Chemical Name:
2,2'-[1-OXA-4,10,16-TRITHIA-7,13-DIAZACYCLOOCTADECANE-7,13-DIYLBIS(METHYLENE)]BIS-8-QUINOLINOL
CAS Number:
343372-33-8
IUPAC Name:
2-[[13-[(8-hydroxyquinolin-2-yl)methyl]-1-oxa-4,10,16-trithia-7,13-diazacyclooctadec-7-yl]methyl]quinolin-8-ol
InChI:
InChI=1S/C32H40N4O3S3/c37-29-5-1-3-25-7-9-27(33-31(25)29)23-35-11-17-40-18-12-36(14-20-42-22-16-39-15-21-41-19-13-35)24-28-10-8-26-4-2-6-30(38)32(26)34-28/h1-10,37-38H,11-24H2
InChI Key:
XLLLQUMDYKOPGG-UHFFFAOYSA-N
Properties
Complexity:
700
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
624.226g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
624.877g/mol
Monoisotopic Mass:
624.226g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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