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Chemical ID: 6282663
Chemical ID:
6282663
Name [?]:
4-benzoyl-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-benzamide
SMILES [?]:
COc1ccc(cc1)c2nnc(o2)NC(=O)c3ccc(cc3)C(=O)c4ccccc4
InChi [?]:
InChI=1/C23H17N3O4/c1-29-19-13-11-18(12-14-19)22-25-26-23(30-22)24-21(28)17-9-7-16(8-10-17)20(27)15-5-3-2-4-6-15/h2-14H,1H3,(H,24,26,28)
InChi Info:
AuxInfo=1/1/N:1,28,27,29,26,30,19,21,18,22,5,7,4,8,25,20,17,6,3,23,15,9,12,14,10,11,24,16,2,13/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30nCOCCCCCCCNNCONCOCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H17N3O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.163 |
Area: | 635.905 |
Solvation: | -4.73466 |
Coulombic: | -54.7769 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 399.399 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.82 |
LogP (Chemaxon): | 3.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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