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Chemical ID: 6282784
Chemical ID:
6282784
Name [?]:
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethyl-benzamide
SMILES [?]:
Cc1ccc(cc1C)C(=O)Nc2nnc(o2)c3ccc(cc3OC)OC
InChi [?]:
InChI=1/C19H19N3O4/c1-11-5-6-13(9-12(11)2)17(23)20-19-22-21-18(26-19)15-8-7-14(24-3)10-16(15)25-4/h5-10H,1-4H3,(H,20,22,23)
InChi Info:
AuxInfo=1/1/N:1,8,26,24,3,4,19,18,6,21,2,7,5,20,17,22,9,15,12,11,14,13,10,25,23,16/rA:26nCCCCCCCCCONCNNCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s22;s23;s20;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16578 |
Area: | 572.044 |
Solvation: | -5.1353 |
Coulombic: | -50.6161 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 353.372 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.06 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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