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71079-58-8

71079-58-8 | 1-(1-METHYLCYCLOPENTYL)-2-(2-METHYL-4-QUINOLYL)-3-(THIAZOL-2-YL)GUANIDINE

CAS No: 71079-58-8 Catalog No: AG005EB6 MDL No:

Product Description

Catalog Number:
AG005EB6
Chemical Name:
1-(1-METHYLCYCLOPENTYL)-2-(2-METHYL-4-QUINOLYL)-3-(THIAZOL-2-YL)GUANIDINE
CAS Number:
71079-58-8
Molecular Formula:
C20H23N5S
Molecular Weight:
365.4951
IUPAC Name:
2-(1-methylcyclopentyl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
InChI:
InChI=1S/C20H23N5S/c1-14-13-17(15-7-3-4-8-16(15)22-14)23-18(24-19-21-11-12-26-19)25-20(2)9-5-6-10-20/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H2,21,22,23,24,25)
InChI Key:
UXRGHLPVZSDLBT-UHFFFAOYSA-N
SMILES:
Cc1cc(N=C(NC2(C)CCCC2)Nc2nccs2)c2c(n1)cccc2

Properties

Complexity:
504  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.167g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
365.499g/mol
Monoisotopic Mass:
365.167g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

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