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Chemical ID: 5099086
Chemical ID:
5099086
Name [?]:
N-(4-ethoxyphenyl)-N-(1-naphthylmethyl)furan-2-carboxamide
SMILES [?]:
CCOc1ccc(cc1)N(Cc2cccc3c2cccc3)C(=O)c4ccco4
InChi [?]:
InChI=1/C24H21NO3/c1-2-27-21-14-12-20(13-15-21)25(24(26)23-11-6-16-28-23)17-19-9-5-8-18-7-3-4-10-22(18)19/h3-16H,2,17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,19,14,26,21,15,13,18,25,6,8,5,9,27,11,16,12,7,4,17,24,22,10,23,3,28/E:(12,13)(14,15)/rA:28nCCOCCCCCCNCCCCCCCCCCCCOCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s17;d18;s19;s16d20;s10;d22;s22;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21NO3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3909 |
Area: | 557.549 |
Solvation: | -3.54786 |
Coulombic: | -36.2126 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 371.428 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.15 |
LogP (Chemaxon): | 4.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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