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71079-34-0 | 1-TERT-BUTYL-2-(2-METHYL-4-QUINOLYL)-3-(4-METHYL-THIAZOL-2-YL)GUANIDINE
CAS No: 71079-34-0 Catalog No: AG0060U4 MDL No:
Product Description
Catalog Number:
AG0060U4
Chemical Name:
1-TERT-BUTYL-2-(2-METHYL-4-QUINOLYL)-3-(4-METHYL-THIAZOL-2-YL)GUANIDINE
CAS Number:
71079-34-0
Molecular Formula:
C19H23N5S
Molecular Weight:
353.4844
IUPAC Name:
2-tert-butyl-1-(2-methylquinolin-4-yl)-3-(4-methyl-1,3-thiazol-2-yl)guanidine
InChI:
InChI=1S/C19H23N5S/c1-12-10-16(14-8-6-7-9-15(14)20-12)22-17(24-19(3,4)5)23-18-21-13(2)11-25-18/h6-11H,1-5H3,(H2,20,21,22,23,24)
InChI Key:
OSRKVWBHNVHECI-UHFFFAOYSA-N
SMILES:
Cc1csc(n1)NC(=Nc1cc(C)nc2c1cccc2)NC(C)(C)C
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.167g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
353.488g/mol
Monoisotopic Mass:
353.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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