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Chemical ID: 5985883

CC(c1ccccc1)NC(=O)c2cc(nn2c3ccccc3)c4ccc(cc4OC)OC

Chemical ID:

5985883

Name [?]:

5-(2,4-dimethoxyphenyl)-2-phenyl-N-(1-phenylethyl)pyrazole-3-carboxamide

SMILES [?]:

CC(c1ccccc1)NC(=O)c2cc(nn2c3ccccc3)c4ccc(cc4OC)OC

InChi [?]:

InChI=1/C26H25N3O3/c1-18(19-10-6-4-7-11-19)27-26(30)24-17-23(28-29(24)20-12-8-5-9-13-20)22-15-14-21(31-2)16-25(22)32-3/h4-18H,1-3H3,(H,27,30)

InChi Info:

AuxInfo=1/1/N:1,32,30,6,20,5,7,19,21,4,8,18,22,25,24,27,13,2,3,17,26,23,14,12,28,10,9,15,16,11,31,29/E:(6,7)(8,9)(10,11)(12,13)/rA:32cCCCCCCCCNCOCCCNNCCCCCCCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;d12;s13;d14;s12s15;s16;s17;d18;s19;d20;d17s21;s14;s23;d24;s25;d26;d23s27;s28;s29;s26;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₅N₃O₃
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	10.5406
Area:	669.682
Solvation:	-6.20142
Coulombic:	-43.3046

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	427.495
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.5
LogP (Chemaxon):	4.43

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