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343372-34-9 | 8-Quinolinol,2,2'-[[2-(hydroxymethyl)-1,4,10-trithia-7,13-diazacyclopentadecane-7,13-diyl]bis(methylene)]bis-
CAS No: 343372-34-9 Catalog No: AG007G5S MDL No:
Product Description
Catalog Number:
AG007G5S
Chemical Name:
8-Quinolinol,2,2'-[[2-(hydroxymethyl)-1,4,10-trithia-7,13-diazacyclopentadecane-7,13-diyl]bis(methylene)]bis-
CAS Number:
343372-34-9
Molecular Formula:
C31H38N4O3S3
Molecular Weight:
610.8534
IUPAC Name:
2-[[2-(hydroxymethyl)-13-[(8-hydroxyquinolin-2-yl)methyl]-1,4,10-trithia-7,13-diazacyclopentadec-7-yl]methyl]quinolin-8-ol
InChI:
InChI=1S/C31H38N4O3S3/c36-21-27-22-40-17-13-34(19-25-9-7-23-3-1-5-28(37)30(23)32-25)11-15-39-16-12-35(14-18-41-27)20-26-10-8-24-4-2-6-29(38)31(24)33-26/h1-10,27,36-38H,11-22H2
InChI Key:
BUNNXZUHAADYOK-UHFFFAOYSA-N
SMILES:
OCC1CSCCN(CCSCCN(CCS1)Cc1ccc2c(n1)c(O)ccc2)Cc1ccc2c(n1)c(O)ccc2
Properties
Complexity:
757
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:
5
Topological Polar Surface Area:
169A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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