Chemical ID: 6038344

CCCCN(CCC(=O)NCc1cccc(c1)C(F)(F)F)C(=O)c2cnc(cn2)C
Chemical ID:
6038344
Name [?]:
N-butyl-5-methyl-N-[2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]ethyl]pyrazine-2-carboxamide
SMILES [?]:
CCCCN(CCC(=O)NCc1cccc(c1)C(F)(F)F)C(=O)c2cnc(cn2)C
InChi [?]:
InChI=1/C21H25F3N4O2/c1-3-4-9-28(20(30)18-14-25-15(2)12-26-18)10-8-19(29)27-13-16-6-5-7-17(11-16)21(22,23)24/h5-7,11-12,14H,3-4,8-10,13H2,1-2H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,30,2,3,14,13,15,7,4,6,17,28,11,25,27,12,16,24,8,22,18,19,20,21,26,29,10,5,9,23/E:(22,23,24)/rA:30nCCCCNCCCONCCCCCCCCFFFCOCCNCCNC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;s18;s18;s5;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25F3N4O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.6003
Area:658.845
Solvation:-3.87084
Coulombic:-68.4006
Bond Count [?]
All:31
Single:23
Double:8
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:422.444
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.27
LogP (Chemaxon):2.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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