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Chemical ID: 4200909
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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