Chemical ID: 6039000

CC(C)CN(CCC(=O)NCc1cccc(c1)C(F)(F)F)C(=O)c2cnccn2
Chemical ID:
6039000
Name [?]:
N-isobutyl-N-[2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]ethyl]pyrazine-2-carboxamide
SMILES [?]:
CC(C)CN(CCC(=O)NCc1cccc(c1)C(F)(F)F)C(=O)c2cnccn2
InChi [?]:
InChI=1/C20H23F3N4O2/c1-14(2)13-27(19(29)17-12-24-7-8-25-17)9-6-18(28)26-11-15-4-3-5-16(10-15)20(21,22)23/h3-5,7-8,10,12,14H,6,9,11,13H2,1-2H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,3,14,13,15,7,27,28,6,17,11,25,4,2,12,16,24,8,22,18,19,20,21,26,29,10,5,9,23/E:(1,2)(21,22,23)/rA:29nCCCCNCCCONCCCCCCCCFFFCOCCNCCN/rB:s1;s2;s2;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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23F3N4O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.5235
Area:618.875
Solvation:-3.94842
Coulombic:-68.3682
Bond Count [?]
All:30
Single:22
Double:8
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:408.418
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.68
LogP (Chemaxon):1.94

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Descriptor Annotations

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