Chemical ID: 5879023

Cc1ccc(c(c1)C)n2c(cc(n2)c3ccccc3)OC(=O)CC(C)(C)C
Chemical ID:
5879023
Name [?]:
[2-(2,4-dimethylphenyl)-5-phenyl-pyrazol-3-yl] 3,3-dimethylbutanoate
SMILES [?]:
Cc1ccc(c(c1)C)n2c(cc(n2)c3ccccc3)OC(=O)CC(C)(C)C
InChi [?]:
InChI=1/C23H26N2O2/c1-16-11-12-20(17(2)13-16)25-21(27-22(26)15-23(3,4)5)14-19(24-25)18-9-7-6-8-10-18/h6-14H,15H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,8,25,26,27,17,16,18,15,19,3,4,7,11,23,2,6,14,12,5,10,21,24,13,9,22,20/E:(3,4,5)(7,8)(9,10)/rA:27nCCCCCCCCNCCCNCCCCCCOCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s12;s14;d15;s16;d17;d14s18;s10;s20;d21;s21;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.9227
Area:595.309
Solvation:-1.96008
Coulombic:-27.5725
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:362.465
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.9
LogP (Chemaxon):6.25

Name Annotations

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Descriptor Annotations

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