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Chemical ID: 5885534

CCCCCN(CC(=O)Nc1cc(nn1c2ccccc2C)C(C)(C)C)C(=O)NCCCC

Chemical ID:

5885534

Name [?]:

2-(butylcarbamoyl-pentyl-amino)-N-[2-(o-tolyl)-5-tert-butyl-pyrazol-3-yl]-acetamide

SMILES [?]:

CCCCCN(CC(=O)Nc1cc(nn1c2ccccc2C)C(C)(C)C)C(=O)NCCCC

InChi [?]:

InChI=1/C26H41N5O2/c1-7-9-13-17-30(25(33)27-16-10-8-2)19-24(32)28-23-18-22(26(4,5)6)29-31(23)21-15-12-11-14-20(21)3/h11-12,14-15,18H,7-10,13,16-17,19H2,1-6H3,(H,27,33)(H,28,32)

InChi Info:

AuxInfo=1/1/N:1,33,22,24,25,26,2,32,3,31,19,18,4,20,17,30,5,12,7,21,16,13,11,8,27,23,29,10,14,6,15,9,28/E:(4,5,6)/rA:33nCCCCCNCCONCCCNNCCCCCCCCCCCCONCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s15;s16;d17;s18;d19;d16s20;s21;s13;s23;s23;s23;s6;d27;s27;s29;s30;s31;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₄₁N₅O₂
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	15.6203
Area:	771.372
Solvation:	-3.66401
Coulombic:	-58.3179

Bond Count [?]

All:	34
Single:	27
Double:	7
Rotors:	15
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	455.636
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.25
LogP (Chemaxon):	5.72

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