Chemical ID: 7132320

c1cc(cc(c1)C(=O)Nc2ccc(cn2)Br)C(=O)Nc3ccc(c[nH+]3)Br
Chemical ID:
7132320
Name [?]:
N'-(5-bromo-1H-pyridin-2-yl)-N-(5-bromo-2-pyridyl)-benzene-1,3-dicarboxamide
SMILES [?]:
c1cc(cc(c1)C(=O)Nc2ccc(cn2)Br)C(=O)Nc3ccc(c[nH+]3)Br
InChi [?]:
InChI=1/C18H12Br2N4O2/c19-13-4-6-15(21-9-13)23-17(25)11-2-1-3-12(8-11)18(26)24-16-7-5-14(20)10-22-16/h1-10H,(H,21,23,25)(H,22,24,26)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,22,12,21,11,4,24,14,3,5,23,13,20,10,17,7,26,16,25,15,19,9,18,8/E:(2,3)(4,5)(6,7)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)/gE:(1,2)/rA:26nCCCCCCCONCCCCCNBrCONCCCCCN+Br/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s3;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13Br2N4O2+
All Atoms:39
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-22.2709
Area:594.669
Solvation:-37.1376
Coulombic:-36.1983
Bond Count [?]
All:28
Single:17
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:477.13
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.51
LogP (Chemaxon):4.52

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