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Chemical ID: 5873015
Chemical ID:
5873015
Name [?]:
N-(2-phenylphenyl)-4-[3-(trifluoromethyl)phenyl]-piperazine-1-carboxamide
SMILES [?]:
c1ccc(cc1)c2ccccc2NC(=O)N3CCN(CC3)c4cccc(c4)C(F)(F)F
InChi [?]:
InChI=1/C24H22F3N3O/c25-24(26,27)19-9-6-10-20(17-19)29-13-15-30(16-14-29)23(31)28-22-12-5-4-11-21(22)18-7-2-1-3-8-18/h1-12,17H,13-16H2,(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,2,6,9,10,24,3,5,25,23,8,11,18,20,17,21,27,4,26,22,7,12,14,28,29,30,31,13,19,16,15/E:(2,3)(7,8)(13,14)(15,16)(25,26,27)/rA:31nCCCCCCCCCCCCNCONCCNCCCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s12;s13;d14;s14;s16;s17;s18;s19;s16s20;s19;s22;d23;s24;d25;d22s26;s26;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22F3N3O |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8345 |
Area: | 609.681 |
Solvation: | -3.40756 |
Coulombic: | -58.1371 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 425.446 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.73 |
LogP (Chemaxon): | 6.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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