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Chemical ID: 6032692
Chemical ID:
6032692
Name [?]:
N-[2-[(4-fluorophenyl)methylcarbamoyl]ethyl]-N-hexyl-furan-3-carboxamide
SMILES [?]:
CCCCCCN(CCC(=O)NCc1ccc(cc1)F)C(=O)c2ccoc2
InChi [?]:
InChI=1/C21H27FN2O3/c1-2-3-4-5-12-24(21(26)18-11-14-27-16-18)13-10-20(25)23-15-17-6-8-19(22)9-7-17/h6-9,11,14,16H,2-5,10,12-13,15H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,15,19,16,18,9,24,6,8,25,13,27,14,23,17,10,21,20,12,7,11,22,26/E:(6,7)(8,9)/rA:27nCCCCCCNCCCONCCCCCCCFCOCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s7;d21;s21;s23;d24;s25;d23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27FN2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2881 |
Area: | 640.056 |
Solvation: | -4.71334 |
Coulombic: | -48.9222 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 374.449 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.86 |
LogP (Chemaxon): | 3.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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