Chemical ID: 4414759

c1cc(cc(c1)N2CCN(CC2)C(=O)NC3CCCCC3)C(F)(F)F
Chemical ID:
4414759
Name [?]:
4-[3-(trifluoromethyl)phenyl]-N,N-bis[4-[3-(trifluoromethyl)phenyl]piperazin-6-yl]-piperazine-1-carboxamide
SMILES [?]:
c1cc(cc(c1)N2CCN(CC2)C(=O)NC3CCCCC3)C(F)(F)F
InChi [?]:
InChI=1/C18H24F3N3O/c19-18(20,21)14-5-4-8-16(13-14)23-9-11-24(12-10-23)17(25)22-15-6-2-1-3-7-15/h4-5,8,13,15H,1-3,6-7,9-12H2,(H,22,25)
InChi Info:
AuxInfo=1/1/N:19,18,20,1,2,17,21,6,8,12,9,11,4,3,16,5,13,22,23,24,25,15,7,10,14/E:(2,3)(6,7)(9,10)(11,12)(19,20,21)/rA:25nCCCCCCNCCNCCCONCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;s16;s17;s18;s19;s16s20;s3;s22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24F3N3O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.4032
Area:537.366
Solvation:-3.03093
Coulombic:-56.3035
Bond Count [?]
All:27
Single:23
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:355.398
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.06
LogP (Chemaxon):3.86

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue