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Chemical ID: 7264202
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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