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2452-41-7 | 1,3-Benzenedisulfonamide, N1,N3-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-, hydrochloride (1:2)
CAS No: 2452-41-7 Catalog No: AG002OF0 MDL No:
Product Description
Catalog Number:
AG002OF0
Chemical Name:
1,3-Benzenedisulfonamide, N1,N3-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-, hydrochloride (1:2)
CAS Number:
2452-41-7
Molecular Formula:
C24H26Cl2N6O4S2
Molecular Weight:
597.5370
IUPAC Name:
3-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-disulfonamide
InChI:
InChI=1S/C24H24N6O4S2/c25-35(31,32)21-2-1-3-22(16-21)36(33,34)30(19-8-4-17(5-9-19)23-26-12-13-27-23)20-10-6-18(7-11-20)24-28-14-15-29-24/h1-11,16H,12-15H2,(H,26,27)(H,28,29)(H2,25,31,32)
InChI Key:
RVNLLIJWQOAQIE-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)C1=NCCN1)Nc1ccc(cc1)C1=NCCN1.Cl.Cl
Properties
Complexity:
1010
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
524.13g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
524.614g/mol
Monoisotopic Mass:
524.13g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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