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72042-08-1 | Guanidine,N-cyclohexyl-N'-(4,5-dihydro-2-thiazolyl)-N''-(2-methyl-4-quinolinyl)-
CAS No: 72042-08-1 Catalog No: AG005DHE MDL No:
Product Description
Catalog Number:
AG005DHE
Chemical Name:
Guanidine,N-cyclohexyl-N'-(4,5-dihydro-2-thiazolyl)-N''-(2-methyl-4-quinolinyl)-
CAS Number:
72042-08-1
Molecular Formula:
C20H25N5S
Molecular Weight:
367.5110
IUPAC Name:
2-cyclohexyl-1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-methylquinolin-4-yl)guanidine
InChI:
InChI=1S/C20H25N5S/c1-14-13-18(16-9-5-6-10-17(16)22-14)24-19(25-20-21-11-12-26-20)23-15-7-3-2-4-8-15/h5-6,9-10,13,15H,2-4,7-8,11-12H2,1H3,(H2,21,22,23,24,25)
InChI Key:
KREDTDIXTPXUHU-UHFFFAOYSA-N
SMILES:
Cc1cc(NC(=NC2CCCCC2)NC2=NCCS2)c2c(n1)cccc2
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.183g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.515g/mol
Monoisotopic Mass:
367.183g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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