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Chemical ID: 6719298
Chemical ID:
6719298
Name [?]:
N-(4-acetylphenyl)-5-(p-tolylmethyl)furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1)Cc2ccc(o2)C(=O)Nc3ccc(cc3)C(=O)C
InChi [?]:
InChI=1/C21H19NO3/c1-14-3-5-16(6-4-14)13-19-11-12-20(25-19)21(24)22-18-9-7-17(8-10-18)15(2)23/h3-12H,13H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,3,7,4,6,19,21,18,22,10,11,8,2,23,5,20,17,9,12,14,16,24,15,13/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCCCCCCCCCCCOCONCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s9s12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19NO3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8236 |
Area: | 572.373 |
Solvation: | -3.48574 |
Coulombic: | -38.943 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 333.38 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.73 |
LogP (Chemaxon): | 3.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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