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833427-91-1 | 1,3-Benzenediamine, N,N'-bis[4-(3-bromophenyl)-5-methyl-2-thiazolyl]-
CAS No: 833427-91-1 Catalog No: AG004STH MDL No:
Product Description
Catalog Number:
AG004STH
Chemical Name:
1,3-Benzenediamine, N,N'-bis[4-(3-bromophenyl)-5-methyl-2-thiazolyl]-
CAS Number:
833427-91-1
Molecular Formula:
C26H20Br2N4S2
Molecular Weight:
612.4018
IUPAC Name:
1-N,3-N-bis[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzene-1,3-diamine
InChI:
InChI=1S/C26H20Br2N4S2/c1-15-23(17-6-3-8-19(27)12-17)31-25(33-15)29-21-10-5-11-22(14-21)30-26-32-24(16(2)34-26)18-7-4-9-20(28)13-18/h3-14H,1-2H3,(H,29,31)(H,30,32)
InChI Key:
SCURFVOXPVSHRJ-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)c1nc(sc1C)Nc1cccc(c1)Nc1sc(c(n1)c1cccc(c1)Br)C
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
611.948g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
612.402g/mol
Monoisotopic Mass:
609.95g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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