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71079-47-5 | 1-SEC-BUTYL-2-(2-METHYL-4-QUINOLYL)-3-(THIAZOL-2-YL)GUANIDINE
CAS No: 71079-47-5 Catalog No: AG005OGN MDL No:
Product Description
Catalog Number:
AG005OGN
Chemical Name:
1-SEC-BUTYL-2-(2-METHYL-4-QUINOLYL)-3-(THIAZOL-2-YL)GUANIDINE
CAS Number:
71079-47-5
Molecular Formula:
C18H21N5S
Molecular Weight:
339.4578
IUPAC Name:
2-butan-2-yl-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
InChI:
InChI=1S/C18H21N5S/c1-4-12(2)21-17(23-18-19-9-10-24-18)22-16-11-13(3)20-15-8-6-5-7-14(15)16/h5-12H,4H2,1-3H3,(H2,19,20,21,22,23)
InChI Key:
MBHYXGIPAYUKIJ-UHFFFAOYSA-N
SMILES:
CCC(NC(=Nc1cc(C)nc2c1cccc2)Nc1nccs1)C
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.152g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
339.461g/mol
Monoisotopic Mass:
339.152g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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