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151162-46-8 | 3-Pyridinesulfonamide, N-[(cyclohexylamino)thioxomethyl]-4-(cyclooctylamino)-
CAS No: 151162-46-8 Catalog No: AG001N5F MDL No:
Product Description
Catalog Number:
AG001N5F
Chemical Name:
3-Pyridinesulfonamide, N-[(cyclohexylamino)thioxomethyl]-4-(cyclooctylamino)-
CAS Number:
151162-46-8
Molecular Formula:
C20H32N4O2S2
Molecular Weight:
424.6237
IUPAC Name:
1-cyclohexyl-3-[4-(cyclooctylamino)pyridin-3-yl]sulfonylthiourea
InChI:
InChI=1S/C20H32N4O2S2/c25-28(26,24-20(27)23-17-11-7-4-8-12-17)19-15-21-14-13-18(19)22-16-9-5-2-1-3-6-10-16/h13-17H,1-12H2,(H,21,22)(H2,23,24,27)
InChI Key:
WFSLNOMOIPDWSY-UHFFFAOYSA-N
SMILES:
S=C(NS(=O)(=O)c1cnccc1NC1CCCCCCC1)NC1CCCCC1
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.197g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
424.622g/mol
Monoisotopic Mass:
424.197g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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