Chemical ID: 5985107

Cc1ccc(c(c1)C)n2c(cc(n2)c3ccc(c(c3)C)C)C(=O)N4CCN(CC4)C(=O)C
Chemical ID:
5985107
Name [?]:
1-[4-[2-(2,4-dimethylphenyl)-5-(3,4-dimethylphenyl)-pyrazol-3-yl]carbonylpiperazin-1-yl]ethanone
SMILES [?]:
Cc1ccc(c(c1)C)n2c(cc(n2)c3ccc(c(c3)C)C)C(=O)N4CCN(CC4)C(=O)C
InChi [?]:
InChI=1/C26H30N4O2/c1-17-6-9-24(20(4)14-17)30-25(26(32)29-12-10-28(11-13-29)21(5)31)16-23(27-30)22-8-7-18(2)19(3)15-22/h6-9,14-16H,10-13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,21,20,8,32,3,16,15,4,26,28,25,29,7,19,11,2,17,18,6,30,14,12,5,10,22,13,27,24,9,31,23/E:(10,11)(12,13)/rA:32nCCCCCCCCNCCCNCCCCCCCCCONCCNCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s18;s17;s10;d22;s22;s24;s25;s26;s27;s24s28;s27;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H30N4O2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.4666
Area:665.789
Solvation:-4.17809
Coulombic:-38.2312
Bond Count [?]
All:35
Single:25
Double:10
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:430.542
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.55
LogP (Chemaxon):3.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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