Chemical ID: 6038860

c1ccc(cc1)CN(CCC(=O)NCc2cccc(c2)C(F)(F)F)C(=O)c3cnccn3
Chemical ID:
6038860
Name [?]:
N-benzyl-N-[2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]ethyl]pyrazine-2-carboxamide
SMILES [?]:
c1ccc(cc1)CN(CCC(=O)NCc2cccc(c2)C(F)(F)F)C(=O)c3cnccn3
InChi [?]:
InChI=1/C23H21F3N4O2/c24-23(25,26)19-8-4-7-18(13-19)14-29-21(31)9-12-30(16-17-5-2-1-3-6-17)22(32)20-15-27-10-11-28-20/h1-8,10-11,13,15H,9,12,14,16H2,(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,3,5,16,18,10,30,31,9,20,14,28,7,4,15,19,27,11,25,21,22,23,24,29,32,13,8,12,26/E:(2,3)(5,6)(24,25,26)/rA:32nCCCCCCCNCCCONCCCCCCCCFFFCOCCNCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s19;s21;s21;s21;s8;d25;s25;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21F3N4O2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.0054
Area:652.716
Solvation:-4.31251
Coulombic:-69.3664
Bond Count [?]
All:34
Single:23
Double:11
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:442.434
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.31
LogP (Chemaxon):2.51

Name Annotations

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Descriptor Annotations

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