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71079-48-6 | 1-(2,2-DIMETHYLPROPYL)-2-(2-METHYL-4-QUINOLYL)-3-(THIAZOL-2-YL)GUANIDINE
CAS No: 71079-48-6 Catalog No: AG0060U2 MDL No:
Product Description
Catalog Number:
AG0060U2
Chemical Name:
1-(2,2-DIMETHYLPROPYL)-2-(2-METHYL-4-QUINOLYL)-3-(THIAZOL-2-YL)GUANIDINE
CAS Number:
71079-48-6
Molecular Formula:
C19H23N5S
Molecular Weight:
353.4844
IUPAC Name:
2-(2,2-dimethylpropyl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
InChI:
InChI=1S/C19H23N5S/c1-13-11-16(14-7-5-6-8-15(14)22-13)23-17(21-12-19(2,3)4)24-18-20-9-10-25-18/h5-11H,12H2,1-4H3,(H2,20,21,22,23,24)
InChI Key:
ARUAUVLJJMTZRL-UHFFFAOYSA-N
SMILES:
Cc1cc(N=C(Nc2nccs2)NCC(C)(C)C)c2c(n1)cccc2
Properties
Complexity:
461
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:
6
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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