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Chemical ID: 5885372

Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)CN(CCC(C)C)C(=O)NC(C)(C)C

Chemical ID:

5885372

Name [?]:

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

SMILES [?]:

Cc1cccc(c1)n2c(cc(n2)C(C)(C)C)NC(=O)CN(CCC(C)C)C(=O)NC(C)(C)C

InChi [?]:

InChI=1/C26H41N5O2/c1-18(2)13-14-30(24(33)28-26(7,8)9)17-23(32)27-22-16-21(25(4,5)6)29-31(22)20-12-10-11-19(3)15-20/h10-12,15-16,18H,13-14,17H2,1-9H3,(H,27,32)(H,28,33)

InChi Info:

AuxInfo=1/1/N:25,26,1,14,15,16,31,32,33,4,3,5,23,22,7,10,20,24,2,6,11,9,18,27,13,30,17,29,12,21,8,19,28/E:(1,2)(4,5,6)(7,8,9)/rA:33nCCCCCCCNCCCNCCCCNCOCNCCCCCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s11;s13;s13;s13;s9;s17;d18;s18;s20;s21;s22;s23;s24;s24;s21;d27;s27;s29;s30;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	14.8791
Area:	749.276
Solvation:	-3.85282
Coulombic:	-57.3069

Bond Count [?]

All:	34
Single:	27
Double:	7
Rotors:	12
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	455.636
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.35
LogP (Chemaxon):	5.28

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