Chemical ID: 7332480

Cc1cc(n(n1)c2ccccc2)NC(=O)C3CCC(CC3)C(=O)Nc4cc(nn4c5ccccc5)C
Chemical ID:
7332480
Name [?]:
N,N'-bis(5-methyl-2-phenyl-pyrazol-3-yl)cyclohexane-1,4-dicarboxamide
SMILES [?]:
Cc1cc(n(n1)c2ccccc2)NC(=O)C3CCC(CC3)C(=O)Nc4cc(nn4c5ccccc5)C
InChi [?]:
InChI=1/C28H30N6O2/c1-19-17-25(33(31-19)23-9-5-3-6-10-23)29-27(35)21-13-15-22(16-14-21)28(36)30-26-18-20(2)32-34(26)24-11-7-4-8-12-24/h3-12,17-18,21-22H,13-16H2,1-2H3,(H,29,35)(H,30,36)
InChi Info:
AuxInfo=1/1/N:1,36,10,33,9,11,32,34,8,12,31,35,17,21,18,20,3,26,2,27,16,19,7,30,4,25,14,22,13,24,6,28,5,29,15,23/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14,15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)/gE:(1,2)/rA:36nCCCCNNCCCCCCNCOCCCCCCCONCCCNNCCCCCCC/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;d10;d7s11;s4;s13;d14;s14;s16;s17;s18;s19;s16s20;s19;d22;s22;s24;d25;s26;d27;s25s28;s29;s30;d31;s32;d33;d30s34;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H30N6O2
All Atoms:66
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:13.9839
Area:742.358
Solvation:-4.575
Coulombic:-50.8518
Bond Count [?]
All:40
Single:28
Double:12
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:482.577
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.52
LogP (Chemaxon):4.26

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