Chemical ID: 4200909

c1cc(cc(c1)N2CCN(CC2)C(=O)Nc3ccc(cc3)F)C(F)(F)F
Chemical ID:
4200909
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)Nc3ccc(cc3)F)C(F)(F)F
InChi [?]:
InChI=1/C18H17F4N3O/c19-14-4-6-15(7-5-14)23-17(26)25-10-8-24(9-11-25)16-3-1-2-13(12-16)18(20,21)22/h1-7,12H,8-11H2,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,20,17,21,8,12,9,11,4,3,19,16,5,13,23,22,24,25,26,15,7,10,14/E:(4,5)(6,7)(8,9)(10,11)(20,21,22)/rA:26nCCCCCCNCCNCCCONCCCCCCFCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;s3;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17F4N3O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.12047
Area:530.983
Solvation:-4.15412
Coulombic:-59.0009
Bond Count [?]
All:28
Single:21
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:367.341
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.95
LogP (Chemaxon):4.57

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