Chemical ID: 6283121

c1ccc(cc1)Cc2ccc(cc2)C(=O)Nc3nnc(o3)c4ccccc4
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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Descriptor Annotations

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