Chemical ID: 7118394

Cc1ccc(c(c1)C)C(C)N2CCN(CC2)C(=O)CCC(=O)NN
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

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