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71079-94-2 | 1-TERT-BUTYL-2-(2-PROPYL-4-QUINOLYL)-3-(THIAZOL-2-YL)GUANIDINE
CAS No: 71079-94-2 Catalog No: AG005EB1 MDL No:
Product Description
Catalog Number:
AG005EB1
Chemical Name:
1-TERT-BUTYL-2-(2-PROPYL-4-QUINOLYL)-3-(THIAZOL-2-YL)GUANIDINE
CAS Number:
71079-94-2
Molecular Formula:
C20H25N5S
Molecular Weight:
367.5110
IUPAC Name:
2-tert-butyl-1-(2-propylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
InChI:
InChI=1S/C20H25N5S/c1-5-8-14-13-17(15-9-6-7-10-16(15)22-14)23-18(25-20(2,3)4)24-19-21-11-12-26-19/h6-7,9-13H,5,8H2,1-4H3,(H2,21,22,23,24,25)
InChI Key:
PKFZSHWGLSTODX-UHFFFAOYSA-N
SMILES:
CCCc1cc(N=C(NC(C)(C)C)Nc2nccs2)c2c(n1)cccc2
Properties
Complexity:
475
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:
7
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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