Chemical ID: 6832405

CCC(=O)Nc1cc(ccc1N2CC[NH+](CC2)C)C(F)(F)F
Chemical ID:
6832405
Name [?]:
N-[2-(4-methyl-2,3,5,6-tetrahydropyrazin-1-yl)-5-(trifluoromethyl)phenyl]propanamide
SMILES [?]:
CCC(=O)Nc1cc(ccc1N2CC[NH+](CC2)C)C(F)(F)F
InChi [?]:
InChI=1/C15H20F3N3O/c1-3-14(22)19-12-10-11(15(16,17)18)4-5-13(12)21-8-6-20(2)7-9-21/h4-5,10H,3,6-9H2,1-2H3,(H,19,22)/p+1
InChi Info:
AuxInfo=1/1/N:1,18,2,9,10,14,16,13,17,7,8,6,11,3,19,20,21,22,5,15,12,4/E:(6,7)(8,9)(16,17,18)/rA:22nCCCONCCCCCCNCCN+CCCCFFF/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s11;s12;s13;s14;s15;s12s16;s15;s8;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21F3N3O+
All Atoms:43
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-23.1291
Area:485.961
Solvation:-35.2781
Coulombic:-13.1439
Bond Count [?]
All:23
Single:19
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:316.342
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.31
LogP (Chemaxon):2.95

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Descriptor Annotations

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