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Chemical ID: 5986319

Cc1ccc(c(c1)n2c(cc(n2)c3ccc(cc3OC)OC)C(=O)Nc4ccccc4F)C

Chemical ID:

5986319

Name [?]:

5-(2,4-dimethoxyphenyl)-2-(2,5-dimethylphenyl)-N-(2-fluorophenyl)-pyrazole-3-carboxamide

SMILES [?]:

Cc1ccc(c(c1)n2c(cc(n2)c3ccc(cc3OC)OC)C(=O)Nc4ccccc4F)C

InChi [?]:

InChI=1/C26H24FN3O3/c1-16-9-10-17(2)23(13-16)30-24(26(31)28-21-8-6-5-7-20(21)27)15-22(29-30)19-12-11-18(32-3)14-25(19)33-4/h5-15H,1-4H3,(H,28,31)

InChi Info:

AuxInfo=1/1/N:1,33,22,20,29,28,30,27,3,4,15,14,7,17,10,2,5,16,13,31,26,11,6,9,18,23,32,25,12,8,24,21,19/rA:33nCCCCCCCNCCCNCCCCCCOCOCCONCCCCCCFC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s18;s19;s16;s21;s9;d23;s23;s25;s26;d27;s28;d29;d26s30;s31;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₄FN₃O₃
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2017
Area:	641.894
Solvation:	-5.84565
Coulombic:	-46.592

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	445.486
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.66
LogP (Chemaxon):	4.82

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value