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Chemical ID: 6283045
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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