Chemical ID: 6282679

COc1ccc(cc1)c2nnc(o2)NC(=O)c3cc(ccc3Cl)Cl
Chemical ID:
6282679
Name [?]:
2,5-dichloro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-benzamide
SMILES [?]:
COc1ccc(cc1)c2nnc(o2)NC(=O)c3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C16H11Cl2N3O3/c1-23-11-5-2-9(3-6-11)15-20-21-16(24-15)19-14(22)12-8-10(17)4-7-13(12)18/h2-8H,1H3,(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,7,20,4,8,21,18,6,19,3,17,22,15,9,12,24,23,14,10,11,16,2,13/E:(2,3)(5,6)/rA:24nCOCCCCCCCNNCONCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11Cl2N3O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.85691
Area:561.504
Solvation:-4.18068
Coulombic:-43.9703
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:364.182
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.51
LogP (Chemaxon):3.65

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