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863710-26-3 | Guanidine, N,N'''-[(1-methyl-1H-pyrrole-2,5-diyl)di-4,1-phenylene]bis-
CAS No: 863710-26-3 Catalog No: AG004IFP MDL No:
Product Description
Catalog Number:
AG004IFP
Chemical Name:
Guanidine, N,N'''-[(1-methyl-1H-pyrrole-2,5-diyl)di-4,1-phenylene]bis-
CAS Number:
863710-26-3
Molecular Formula:
C19H21N7
Molecular Weight:
347.4169
IUPAC Name:
2-[4-[5-[4-(diaminomethylideneamino)phenyl]-1-methylpyrrol-2-yl]phenyl]guanidine
InChI:
InChI=1S/C19H21N7/c1-26-16(12-2-6-14(7-3-12)24-18(20)21)10-11-17(26)13-4-8-15(9-5-13)25-19(22)23/h2-11H,1H3,(H4,20,21,24)(H4,22,23,25)
InChI Key:
LWIAKOSVPYQOFO-UHFFFAOYSA-N
SMILES:
NC(=N)Nc1ccc(cc1)c1ccc(n1C)c1ccc(cc1)NC(=N)N
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.186g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
347.426g/mol
Monoisotopic Mass:
347.186g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Synthesis of some diguanidino 1-methyl-2,5-diaryl-1H-pyrroles as antifungal agents. | Bioorganic & medicinal chemistry letters 20050801 |
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