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Chemical ID: 5791036
Chemical ID:
5791036
Name [?]:
N-[(4-benzyloxyphenyl)methyleneamino]-N'-(2-fluorophenyl)-oxamide
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)C=NNC(=O)C(=O)Nc3ccccc3F
InChi [?]:
InChI=1/C22H18FN3O3/c23-19-8-4-5-9-20(19)25-21(27)22(28)26-24-14-16-10-12-18(13-11-16)29-15-17-6-2-1-3-7-17/h1-14H,15H2,(H,25,27)(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,26,25,3,5,27,24,11,13,10,14,15,7,12,4,9,28,23,20,18,29,16,22,17,21,19,8/E:(2,3)(6,7)(10,11)(12,13)/rA:29nCCCCCCCOCCCCCCCNNCOCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;w15;s16;s17;d18;s18;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18FN3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7032 |
Area: | 628.31 |
Solvation: | -5.00451 |
Coulombic: | -57.9107 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 391.395 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.81 |
LogP (Chemaxon): | 3.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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