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Chemical ID: 6282668
Chemical ID:
6282668
Name [?]:
4-acetyl-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-benzamide
SMILES [?]:
CC(=O)c1ccc(cc1)C(=O)Nc2nnc(o2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C18H15N3O4/c1-11(22)12-3-5-13(6-4-12)16(23)19-18-21-20-17(25-18)14-7-9-15(24-2)10-8-14/h3-10H,1-2H3,(H,19,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,5,9,6,8,19,23,20,22,2,4,7,18,21,10,16,13,12,15,14,3,11,24,17/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCOCCCCCCCONCNNCOCCCCCCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;d13;s14;d15;s13s16;s16;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15N3O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.14373 |
Area: | 562.336 |
Solvation: | -4.91468 |
Coulombic: | -51.347 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 337.33 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.11 |
LogP (Chemaxon): | 1.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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