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88723-97-1 | Guanidine, [4-[2-(heptylamino)-1H-imidazol-4-yl]-2-thiazolyl]-
CAS No: 88723-97-1 Catalog No: AG0046KX MDL No:
Product Description
Catalog Number:
AG0046KX
Chemical Name:
Guanidine, [4-[2-(heptylamino)-1H-imidazol-4-yl]-2-thiazolyl]-
CAS Number:
88723-97-1
Molecular Formula:
C14H23N7S
Molecular Weight:
321.4443
IUPAC Name:
2-[4-[2-(heptylamino)-1H-imidazol-5-yl]-1,3-thiazol-2-yl]guanidine
InChI:
InChI=1S/C14H23N7S/c1-2-3-4-5-6-7-17-13-18-8-10(19-13)11-9-22-14(20-11)21-12(15)16/h8-9H,2-7H2,1H3,(H2,17,18,19)(H4,15,16,20,21)
InChI Key:
AZLOYNCATTWTDU-UHFFFAOYSA-N
SMILES:
CCCCCCCNc1nc(c[nH]1)c1csc(n1)NC(=N)N
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.174g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
321.447g/mol
Monoisotopic Mass:
321.174g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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