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72041-87-3 | 3-isoquinolin-5-yl-2-tert-butyl-1-(1,3-thiazol-2-yl)guanidine
CAS No: 72041-87-3 Catalog No: AG00FTDJ MDL No:
Product Description
Catalog Number:
AG00FTDJ
Chemical Name:
3-isoquinolin-5-yl-2-tert-butyl-1-(1,3-thiazol-2-yl)guanidine
CAS Number:
72041-87-3
IUPAC Name:
2-tert-butyl-1-isoquinolin-5-yl-3-(1,3-thiazol-2-yl)guanidine
InChI:
InChI=1S/C17H19N5S/c1-17(2,3)22-15(21-16-19-9-10-23-16)20-14-6-4-5-12-11-18-8-7-13(12)14/h4-11H,1-3H3,(H2,19,20,21,22)
InChI Key:
SCGZAUANSFOUHP-UHFFFAOYSA-N
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.136g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
325.434g/mol
Monoisotopic Mass:
325.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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