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Chemical ID: 5777284
Chemical ID:
5777284
Name [?]:
N-(2-furylmethyl)-3-(4-methoxyphenyl)-3-(2,2,2-trifluoroacetyl)amino-propanamide
SMILES [?]:
COc1ccc(cc1)C(CC(=O)NCc2ccco2)NC(=O)C(F)(F)F
InChi [?]:
InChI=1/C17H17F3N2O4/c1-25-12-6-4-11(5-7-12)14(22-16(24)17(18,19)20)9-15(23)21-10-13-3-2-8-26-13/h2-8,14H,9-10H2,1H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,17,16,5,7,4,8,18,10,14,6,3,15,9,11,21,23,24,25,26,13,20,12,22,2,19/E:(4,5)(6,7)(18,19,20)/rA:26cCOCCCCCCCCCONCCCCCONCOCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;s15s18;s9;s20;d21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17F3N2O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.20389 |
Area: | 568.12 |
Solvation: | -5.99912 |
Coulombic: | -76.8229 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 370.323 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.87 |
LogP (Chemaxon): | 1.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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