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Chemical ID: 4059512
Chemical ID:
4059512
Name [?]:
N-(2,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-piperazine-1-carboxamide
SMILES [?]:
COc1ccc(c(c1)OC)NC(=O)N2CCN(CC2)c3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C20H22F3N3O3/c1-28-16-6-7-17(18(13-16)29-2)24-19(27)26-10-8-25(9-11-26)15-5-3-4-14(12-15)20(21,22)23/h3-7,12-13H,8-11H2,1-2H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,10,22,23,21,4,5,16,18,15,19,25,8,24,20,3,6,7,12,26,27,28,29,11,17,14,13,2,9/E:(8,9)(10,11)(21,22,23)/rA:29nCOCCCCCCOCNCONCCNCCCCCCCCCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s12;s14;s15;s16;s17;s14s18;s17;s20;d21;s22;d23;d20s24;s24;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22F3N3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.72714 |
Area: | 596.69 |
Solvation: | -5.1901 |
Coulombic: | -69.8517 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 409.402 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.62 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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