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Chemical ID: 6283121
Chemical ID:
6283121
Name [?]:
4-benzyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-benzamide
SMILES [?]:
c1ccc(cc1)Cc2ccc(cc2)C(=O)Nc3nnc(o3)c4ccccc4
InChi [?]:
InChI=1/C22H17N3O2/c26-20(23-22-25-24-21(27-22)19-9-5-2-6-10-19)18-13-11-17(12-14-18)15-16-7-3-1-4-8-16/h1-14H,15H2,(H,23,25,26)
InChi Info:
AuxInfo=1/1/N:1,25,2,6,24,26,3,5,23,27,9,13,10,12,7,4,8,11,22,14,20,17,16,19,18,15,21/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCCCCCCCCCCCONCNNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;d17;s18;d19;s17s20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17N3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0371 |
Area: | 590.445 |
Solvation: | -2.724 |
Coulombic: | -40.5708 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 355.389 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.32 |
LogP (Chemaxon): | 4.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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