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Chemical ID: 5798559
Chemical ID:
5798559
Name [?]:
3,4-dimethoxy-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-benzamide
SMILES [?]:
COc1ccc(cc1)c2nnc(o2)NC(=O)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C18H17N3O5/c1-23-13-7-4-11(5-8-13)17-20-21-18(26-17)19-16(22)12-6-9-14(24-2)15(10-12)25-3/h4-10H,1-3H3,(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,26,24,5,7,18,4,8,19,22,6,17,3,20,21,15,9,12,14,10,11,16,2,25,23,13/E:(4,5)(7,8)/rA:26nCOCCCCCCCNNCONCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17N3O5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.18069 |
Area: | 576.747 |
Solvation: | -7.23799 |
Coulombic: | -56.92 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 355.345 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.83 |
LogP (Chemaxon): | 2.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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