Chemical ID: 6832404

CC(=O)Nc1cc(ccc1N2CC[NH+](CC2)C)C(F)(F)F
Chemical ID:
6832404
Name [?]:
N-[2-(4-methyl-2,3,5,6-tetrahydropyrazin-1-yl)-5-(trifluoromethyl)phenyl]acetamide
SMILES [?]:
CC(=O)Nc1cc(ccc1N2CC[NH+](CC2)C)C(F)(F)F
InChi [?]:
InChI=1/C14H18F3N3O/c1-10(21)18-12-9-11(14(15,16)17)3-4-13(12)20-7-5-19(2)6-8-20/h3-4,9H,5-8H2,1-2H3,(H,18,21)/p+1
InChi Info:
AuxInfo=1/1/N:1,17,8,9,13,15,12,16,6,2,7,5,10,18,19,20,21,4,14,11,3/E:(5,6)(7,8)(15,16,17)/rA:21nCCONCCCCCCNCCN+CCCCFFF/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s13;s14;s11s15;s14;s7;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19F3N3O+
All Atoms:40
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-23.7737
Area:462.021
Solvation:-35.3242
Coulombic:-12.4772
Bond Count [?]
All:22
Single:18
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:302.315
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.05
LogP (Chemaxon):2.32

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Descriptor Annotations

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