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Chemical ID: 6032308
Chemical ID:
6032308
Name [?]:
N-[2-[(4-fluorophenyl)methylcarbamoyl]ethyl]-N-isobutyl-2,5-dimethyl-furan-3-carboxamide
SMILES [?]:
Cc1cc(c(o1)C)C(=O)N(CCC(=O)NCc2ccc(cc2)F)CC(C)C
InChi [?]:
InChI=1/C21H27FN2O3/c1-14(2)13-24(21(26)19-11-15(3)27-16(19)4)10-9-20(25)23-12-17-5-7-18(22)8-6-17/h5-8,11,14H,9-10,12-13H2,1-4H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:26,27,1,7,18,22,19,21,12,11,3,16,24,25,2,5,17,20,4,13,8,23,15,10,14,9,6/E:(1,2)(5,6)(7,8)/rA:27nCCCCCOCCONCCCONCCCCCCCFCCCC/rB:s1;d2;s3;d4;s2s5;s5;s4;d8;s8;s10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s20;s10;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27FN2O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0584 |
Area: | 621.657 |
Solvation: | -4.48299 |
Coulombic: | -48.3627 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 374.449 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.93 |
LogP (Chemaxon): | 2.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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