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72042-01-4 | 2-(2,3-diethylcyclohexyl)-3-(2-methylquinolin-4-yl)-1-(1,3-thiazol-2-y l)guanidine hydrochloride
CAS No: 72042-01-4 Catalog No: AG00FOGW MDL No:
Product Description
Catalog Number:
AG00FOGW
Chemical Name:
2-(2,3-diethylcyclohexyl)-3-(2-methylquinolin-4-yl)-1-(1,3-thiazol-2-y l)guanidine hydrochloride
CAS Number:
72042-01-4
IUPAC Name:
2-(2,3-diethylcyclohexyl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine;hydrochloride
InChI:
InChI=1S/C24H31N5S.ClH/c1-4-17-9-8-12-20(18(17)5-2)27-23(29-24-25-13-14-30-24)28-22-15-16(3)26-21-11-7-6-10-19(21)22;/h6-7,10-11,13-15,17-18,20H,4-5,8-9,12H2,1-3H3,(H2,25,26,27,28,29);1H
InChI Key:
CDDOYVGODCKINE-UHFFFAOYSA-N
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
457.207g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
458.065g/mol
Monoisotopic Mass:
457.207g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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