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Chemical ID: 6282760
Chemical ID:
6282760
Name [?]:
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)Nc2nnc(o2)c3ccc(cc3OC)OC
InChi [?]:
InChI=1/C18H17N3O5/c1-23-12-6-4-11(5-7-12)16(22)19-18-21-20-17(26-18)14-9-8-13(24-2)10-15(14)25-3/h4-10H,1-3H3,(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,26,24,5,7,4,8,19,18,21,6,3,20,17,22,9,15,12,11,14,13,10,2,25,23,16/E:(4,5)(6,7)/rA:26nCOCCCCCCCONCNNCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s22;s23;s20;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17N3O5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.83078 |
Area: | 570.36 |
Solvation: | -6.42822 |
Coulombic: | -57.0899 |
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: | 4.1 |
LogP (Chemaxon): | 2.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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