Chemical ID: 6742361

Cc1cc(ccc1Br)OCC(=O)NCCc2[nH]c3ccccc3[nH+]2
Chemical ID:
6742361
Name [?]:
2-(4-bromo-3-methyl-phenoxy)-N-[2-(1,3-dihydrobenzoimidazol-2-yl)ethyl]acetamide
SMILES [?]:
Cc1cc(ccc1Br)OCC(=O)NCCc2[nH]c3ccccc3[nH+]2
InChi [?]:
InChI=1/C18H18BrN3O2/c1-12-10-13(6-7-14(12)19)24-11-18(23)20-9-8-17-21-15-4-2-3-5-16(15)22-17/h2-7,10H,8-9,11H2,1H3,(H,20,23)(H,21,22)/p+1
InChi Info:
AuxInfo=1/1/N:1,20,21,19,22,5,6,15,14,3,10,2,4,7,18,23,16,11,8,13,17,24,12,9/E:(2,3)(4,5)(15,16)(21,22)/rA:24nCCCCCCCBrOCCONCCCNCCCCCCN+/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;d11;s11;s13;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;d16s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19BrN3O2+
All Atoms:43
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-20.5403
Area:574.165
Solvation:-34.8944
Coulombic:-34.0977
Bond Count [?]
All:26
Single:18
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:389.266
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.46
LogP (Chemaxon):3.7

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