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343372-35-0 | 4,10-BIS[(8-HYDROXY-2-QUINOLINYL)METHYL]-1,7,13-TRITHIA-4,10-DIAZACYCLOHEXADECAN-15-OL
CAS No: 343372-35-0 Catalog No: AG00BZFS MDL No:
Product Description
Catalog Number:
AG00BZFS
Chemical Name:
4,10-BIS[(8-HYDROXY-2-QUINOLINYL)METHYL]-1,7,13-TRITHIA-4,10-DIAZACYCLOHEXADECAN-15-OL
CAS Number:
343372-35-0
IUPAC Name:
4,10-bis[(8-hydroxyquinolin-2-yl)methyl]-1,7,13-trithia-4,10-diazacyclohexadecan-15-ol
InChI:
InChI=1S/C31H38N4O3S3/c36-27-21-40-17-13-34(19-25-9-7-23-3-1-5-28(37)30(23)32-25)11-15-39-16-12-35(14-18-41-22-27)20-26-10-8-24-4-2-6-29(38)31(24)33-26/h1-10,27,36-38H,11-22H2
InChI Key:
XWLBPRNSLAWEIJ-UHFFFAOYSA-N
Properties
Complexity:
699
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
610.211g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
610.85g/mol
Monoisotopic Mass:
610.211g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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