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71079-78-2 | Guanidine,N-cyclohexyl-N'-(2-propyl-4-quinolinyl)-N''-2-thiazolyl-
CAS No: 71079-78-2 Catalog No: AG0060GN MDL No:
Product Description
Catalog Number:
AG0060GN
Chemical Name:
Guanidine,N-cyclohexyl-N'-(2-propyl-4-quinolinyl)-N''-2-thiazolyl-
CAS Number:
71079-78-2
Molecular Formula:
C22H27N5S
Molecular Weight:
393.5483
IUPAC Name:
2-cyclohexyl-1-(2-propylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
InChI:
InChI=1S/C22H27N5S/c1-2-8-17-15-20(18-11-6-7-12-19(18)24-17)26-21(27-22-23-13-14-28-22)25-16-9-4-3-5-10-16/h6-7,11-16H,2-5,8-10H2,1H3,(H2,23,24,25,26,27)
InChI Key:
TVTDSUKPDYYEAX-UHFFFAOYSA-N
SMILES:
CCCc1cc(NC(=NC2CCCCC2)Nc2nccs2)c2c(n1)cccc2
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.199g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
393.553g/mol
Monoisotopic Mass:
393.199g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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