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71079-32-8 | 1-TERT-BUTYL-2-(2-METHYL-4-QUINOLYL)-3-(THIAZOL-2-YL)GUANIDINE
CAS No: 71079-32-8 Catalog No: AG005OGS MDL No:
Product Description
Catalog Number:
AG005OGS
Chemical Name:
1-TERT-BUTYL-2-(2-METHYL-4-QUINOLYL)-3-(THIAZOL-2-YL)GUANIDINE
CAS Number:
71079-32-8
Molecular Formula:
C18H21N5S
Molecular Weight:
339.4578
IUPAC Name:
2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
InChI:
InChI=1S/C18H21N5S/c1-12-11-15(13-7-5-6-8-14(13)20-12)21-16(23-18(2,3)4)22-17-19-9-10-24-17/h5-11H,1-4H3,(H2,19,20,21,22,23)
InChI Key:
KMWVRIUVVAJITK-UHFFFAOYSA-N
SMILES:
Cc1cc(N=C(NC(C)(C)C)Nc2nccs2)c2c(n1)cccc2
Properties
Complexity:
447
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:
5
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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