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Chemical ID: 5996036

Cc1ccc(cc1C)NC(=O)CCCC(=O)Nc2cc(nn2c3ccc(cc3)Cl)C(C)(C)C

Chemical ID:

5996036

Name [?]:

N'-[2-(4-chlorophenyl)-5-tert-butyl-pyrazol-3-yl]-N-(3,4-dimethylphenyl)-pentanediamide

SMILES [?]:

Cc1ccc(cc1C)NC(=O)CCCC(=O)Nc2cc(nn2c3ccc(cc3)Cl)C(C)(C)C

InChi [?]:

InChI=1/C26H31ClN4O2/c1-17-9-12-20(15-18(17)2)28-24(32)7-6-8-25(33)29-23-16-22(26(3,4)5)30-31(23)21-13-10-19(27)11-14-21/h9-16H,6-8H2,1-5H3,(H,28,32)(H,29,33)

InChi Info:

AuxInfo=1/1/N:1,8,31,32,33,13,12,14,3,25,27,4,24,28,6,19,2,7,26,5,23,20,18,10,15,30,29,9,17,21,22,11,16/E:(3,4,5)(10,11)(13,14)/rA:33nCCCCCCCCNCOCCCCONCCCNNCCCCCCClCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;d15;s15;s17;d18;s19;d20;s18s21;s22;s23;d24;s25;d26;d23s27;s26;s20;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₁ClN₄O₂
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	14.3349
Area:	748.969
Solvation:	-4.38938
Coulombic:	-45.4689

Bond Count [?]

All:	35
Single:	25
Double:	10
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	467.003
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	5.38
LogP (Chemaxon):	6.48

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

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Chemical Mix	Source	External ID	Descriptor	Value