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Chemical ID: 4059986
Chemical ID:
4059986
Name [?]:
4-(2,4-dimethylphenyl)-N,N-bis[4-(2,4-dimethylphenyl)piperazin-6-yl]-piperazine-1-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)N2CCN(CC2)C(=O)Nc3c(cccc3F)F
InChi [?]:
InChI=1/C19H21F2N3O/c1-13-6-7-17(14(2)12-13)23-8-10-24(11-9-23)19(25)22-18-15(20)4-3-5-16(18)21/h3-7,12H,8-11H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,8,21,20,22,3,4,10,14,11,13,7,2,6,19,23,5,18,15,25,24,17,9,12,16/E:(4,5)(8,9)(10,11)(15,16)(20,21)/rA:25nCCCCCCCCNCCNCCCONCCCCCCFF/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21F2N3O |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.14835 |
Area: | 533.768 |
Solvation: | -4.19585 |
Coulombic: | -44.1262 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 345.386 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.85 |
LogP (Chemaxon): | 3.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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