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Chemical ID: 5882846

CCCN(CC(=O)Nc1cc(nn1c2ccc(cc2)C)C(C)(C)C)C(=O)NC3CCCCC3

Chemical ID:

5882846

Name [?]:

2-(cyclohexylcarbamoyl-propyl-amino)-N-[2-(p-tolyl)-5-tert-butyl-pyrazol-3-yl]-acetamide

SMILES [?]:

CCCN(CC(=O)Nc1cc(nn1c2ccc(cc2)C)C(C)(C)C)C(=O)NC3CCCCC3

InChi [?]:

InChI=1/C26H39N5O2/c1-6-16-30(25(33)27-20-10-8-7-9-11-20)18-24(32)28-23-17-22(26(3,4)5)29-31(23)21-14-12-19(2)13-15-21/h12-15,17,20H,6-11,16,18H2,1-5H3,(H,27,33)(H,28,32)

InChi Info:

AuxInfo=1/1/N:1,20,22,23,24,2,31,30,32,29,33,16,18,15,19,3,10,5,17,28,14,11,9,6,25,21,27,8,12,4,13,7,26/E:(3,4,5)(8,9)(10,11)(12,13)(14,15)/rA:33nCCCNCCONCCCNNCCCCCCCCCCCCONCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s13;s14;d15;s16;d17;d14s18;s17;s11;s21;s21;s21;s4;d25;s25;s27;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₉N₅O₂
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	14.8218
Area:	737.998
Solvation:	-3.62819
Coulombic:	-57.7383

Bond Count [?]

All:	35
Single:	28
Double:	7
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	453.62
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.8
LogP (Chemaxon):	5.31

Name Annotations

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

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