Chemical ID: 5798559

COc1ccc(cc1)c2nnc(o2)NC(=O)c3ccc(c(c3)OC)OC
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

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Descriptor Annotations

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