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Chemical ID: 5799298
Chemical ID:
5799298
Name [?]:
N-(4-anilinophenyl)-5-benzoyl-furan-2-carboxamide
SMILES [?]:
c1ccc(cc1)C(=O)c2ccc(o2)C(=O)Nc3ccc(cc3)Nc4ccccc4
InChi [?]:
InChI=1/C24H18N2O3/c27-23(17-7-3-1-4-8-17)21-15-16-22(29-21)24(28)26-20-13-11-19(12-14-20)25-18-9-5-2-6-10-18/h1-16,25H,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,27,2,6,26,28,3,5,25,29,19,21,18,22,10,11,4,24,20,17,9,12,7,14,23,16,8,15,13/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:29nCCCCCCCOCCCCOCONCCCCCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;d9;s10;d11;s9s12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18N2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.547 |
Area: | 618.406 |
Solvation: | -2.91312 |
Coulombic: | -54.5654 |
Bond Count [?]
All: | 32 |
Single: | 19 |
Double: | 13 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 382.411 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.05 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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