Chemical ID: 5986046

CCC(C)NC(=O)c1cc(nn1c2ccc(cc2)F)c3ccc(cc3OC)OC
Chemical ID:
5986046
Name [?]:
5-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)-N-sec-butyl-pyrazole-3-carboxamide
SMILES [?]:
CCC(C)NC(=O)c1cc(nn1c2ccc(cc2)F)c3ccc(cc3OC)OC
InChi [?]:
InChI=1/C22H24FN3O3/c1-5-14(2)24-22(27)20-13-19(18-11-10-17(28-3)12-21(18)29-4)25-26(20)16-8-6-15(23)7-9-16/h6-14H,5H2,1-4H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,4,29,27,2,15,17,14,18,22,21,24,9,3,16,13,23,20,10,8,25,6,19,5,11,12,7,28,26/E:(6,7)(8,9)/rA:29cCCCCNCOCCCNNCCCCCCFCCCCCCOCOC/rB:s1;s2;s3;s3;s5;d6;s6;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s16;s10;s20;d21;s22;d23;d20s24;s25;s26;s23;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24FN3O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.0823
Area:620.495
Solvation:-6.43008
Coulombic:-44.9299
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:397.443
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.67
LogP (Chemaxon):3.61

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Descriptor Annotations

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