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Chemical ID: 7399047
Chemical ID:
7399047
Name [?]:
4-[3-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]propanoylamino]benzamide
SMILES [?]:
Cc1ccc(cc1)c2nc(on2)CCC(=O)Nc3ccc(cc3)C(=O)N
InChi [?]:
InChI=1/C19H18N4O3/c1-12-2-4-14(5-3-12)19-22-17(26-23-19)11-10-16(24)21-15-8-6-13(7-9-15)18(20)25/h2-9H,10-11H2,1H3,(H2,20,25)(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,20,22,19,23,14,13,2,21,5,18,15,10,24,8,26,17,9,12,16,25,11/E:(2,3)(4,5)(6,7)(8,9)/rA:26nCCCCCCCCNCONCCCONCCCCCCCON/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N4O3 |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9802 |
Area: | 589.9 |
Solvation: | -3.76733 |
Coulombic: | -57.4377 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 350.371 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 2.44 |
LogP (Chemaxon): | 2.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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