Chemical ID: 5569545

CCOc1ccc(cc1)c2nnc(o2)NC(=O)c3cccc(c3)Cl
Chemical ID:
5569545
Name [?]:
3-chloro-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-benzamide
SMILES [?]:
CCOc1ccc(cc1)c2nnc(o2)NC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C17H14ClN3O3/c1-2-23-14-8-6-11(7-9-14)16-20-21-17(24-16)19-15(22)12-4-3-5-13(18)10-12/h3-10H,2H2,1H3,(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,21,6,8,5,9,23,7,18,22,4,16,10,13,24,15,11,12,17,3,14/E:(6,7)(8,9)/rA:24nCCOCCCCCCCNNCONCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;d12;s10s13;s13;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14ClN3O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.4789
Area:565.98
Solvation:-3.67062
Coulombic:-45.131
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:343.764
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.32
LogP (Chemaxon):3.48

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