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88724-03-2 | Guanidine, [4-[2-[(3-phenylpropyl)amino]-1H-imidazol-4-yl]-2-thiazolyl]-
CAS No: 88724-03-2 Catalog No: AG00453N MDL No:
Product Description
Catalog Number:
AG00453N
Chemical Name:
Guanidine, [4-[2-[(3-phenylpropyl)amino]-1H-imidazol-4-yl]-2-thiazolyl]-
CAS Number:
88724-03-2
Molecular Formula:
C16H19N7S
Molecular Weight:
341.4340
IUPAC Name:
2-[4-[2-(3-phenylpropylamino)-1H-imidazol-5-yl]-1,3-thiazol-2-yl]guanidine
InChI:
InChI=1S/C16H19N7S/c17-14(18)23-16-22-13(10-24-16)12-9-20-15(21-12)19-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H2,19,20,21)(H4,17,18,22,23)
InChI Key:
HNCQXADYJDGDEE-UHFFFAOYSA-N
SMILES:
NC(=N)Nc1scc(n1)c1c[nH]c(n1)NCCCc1ccccc1
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.142g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
341.437g/mol
Monoisotopic Mass:
341.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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