Chemical ID: 6282717

COc1ccc(cc1)c2nnc(o2)NC(=O)c3ccccc3OC
Chemical ID:
6282717
Name [?]:
2-methoxy-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-benzamide
SMILES [?]:
COc1ccc(cc1)c2nnc(o2)NC(=O)c3ccccc3OC
InChi [?]:
InChI=1/C17H15N3O4/c1-22-12-9-7-11(8-10-12)16-19-20-17(24-16)18-15(21)13-5-3-4-6-14(13)23-2/h3-10H,1-2H3,(H,18,20,21)
InChi Info:
AuxInfo=1/1/N:1,24,19,20,18,21,5,7,4,8,6,3,17,22,15,9,12,14,10,11,16,2,23,13/E:(7,8)(9,10)/rA:24nCOCCCCCCCNNCONCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15N3O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.49817
Area:531.447
Solvation:-5.78801
Coulombic:-50.2255
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:325.319
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.18
LogP (Chemaxon):2.36

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Descriptor Annotations

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