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Chemical ID: 7118394
Chemical ID:
7118394
Name [?]:
4-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-4-oxo-butanehydrazide
SMILES [?]:
Cc1ccc(c(c1)C)C(C)N2CCN(CC2)C(=O)CCC(=O)NN
InChi [?]:
InChI=1/C18H28N4O2/c1-13-4-5-16(14(2)12-13)15(3)21-8-10-22(11-9-21)18(24)7-6-17(23)20-19/h4-5,12,15H,6-11,19H2,1-3H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,8,10,3,4,20,19,12,16,13,15,7,2,6,9,5,21,17,24,23,11,14,22,18/E:(8,9)(10,11)/rA:24cCCCCCCCCCCNCCNCCCOCCCONN/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s9;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;s20;d21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H28N4O2 |
All Atoms: | 52 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.1918 |
Area: | 564.285 |
Solvation: | -3.9153 |
Coulombic: | -46.6411 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 332.441 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 0.77 |
LogP (Chemaxon): | 1.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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