Chemical ID: 7264202

c1ccc(c(c1)C(F)(F)F)NC(=O)CN2CCNC(=O)C2
Chemical ID:
7264202
Name [?]:
2-(3-oxopiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1ccc(c(c1)C(F)(F)F)NC(=O)CN2CCNC(=O)C2
InChi [?]:
InChI=1/C13H14F3N3O2/c14-13(15,16)9-3-1-2-4-10(9)18-12(21)8-19-6-5-17-11(20)7-19/h1-4H,5-8H2,(H,17,20)(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,17,16,21,14,5,4,19,12,7,8,9,10,18,11,15,20,13/E:(14,15,16)/rA:21cCCCCCCCFFFNCOCNCCNCOC/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s4;s11;d12;s12;s14;s15;s16;s17;s18;d19;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14F3N3O2
All Atoms:35
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:7.02803
Area:452.665
Solvation:-4.28859
Coulombic:-64.361
Bond Count [?]
All:22
Single:17
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:301.264
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.69
LogP (Chemaxon):0.87

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