Chemical ID: 6283045

COc1cccc(c1C(=O)Nc2nnc(o2)c3ccc(cc3)Cl)OC
Chemical ID:
6283045
Name [?]:
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxy-benzamide
SMILES [?]:
COc1cccc(c1C(=O)Nc2nnc(o2)c3ccc(cc3)Cl)OC
InChi [?]:
InChI=1/C17H14ClN3O4/c1-23-12-4-3-5-13(24-2)14(12)15(22)19-17-21-20-16(25-17)10-6-8-11(18)9-7-10/h3-9H,1-2H3,(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,5,4,6,18,22,19,21,17,20,3,7,8,9,15,12,23,11,14,13,10,2,24,16/E:(1,2)(4,5)(6,7)(8,9)(12,13)(23,24)/rA:25nCOCCCCCCCONCNNCOCCCCCCClOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s20;s7;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14ClN3O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.90988
Area:566.872
Solvation:-5.26193
Coulombic:-51.617
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:359.764
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.81
LogP (Chemaxon):2.88

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