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Chemical ID: 4807040
Chemical ID:
4807040
Name [?]:
2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-furylmethyl)benzamide
SMILES [?]:
c1ccc(c(c1)c2nc(no2)c3ccccc3F)C(=O)NCc4ccco4
InChi [?]:
InChI=1/C20H14FN3O3/c21-17-10-4-3-9-16(17)18-23-20(27-24-18)15-8-2-1-7-14(15)19(25)22-12-13-6-5-11-26-13/h1-11H,12H2,(H,22,25)
InChi Info:
AuxInfo=1/1/N:2,1,14,15,25,24,3,6,13,16,26,22,23,4,5,12,17,9,19,7,18,21,8,10,20,27,11/rA:27nCCCCCCCNCNOCCCCCCFCONCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s9;s12;d13;s14;d15;d12s16;s17;s4;d19;s19;s21;s22;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14FN3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.07842 |
Area: | 566.764 |
Solvation: | -5.09069 |
Coulombic: | -44.9767 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 363.342 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.08 |
LogP (Chemaxon): | 3.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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