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Chemical ID: 5882665

CCCCCN(CC(=O)Nc1cc(nn1c2ccc(cc2)OC)C(C)(C)C)C(=O)C3CCC3

Chemical ID:

5882665

Name [?]:

N-[[2-(4-methoxyphenyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]-N-pentyl-cyclobutanecarboxamide

SMILES [?]:

CCCCCN(CC(=O)Nc1cc(nn1c2ccc(cc2)OC)C(C)(C)C)C(=O)C3CCC3

InChi [?]:

InChI=1/C26H38N4O3/c1-6-7-8-16-29(25(32)19-10-9-11-19)18-24(31)27-23-17-22(26(2,3)4)28-30(23)20-12-14-21(33-5)15-13-20/h12-15,17,19H,6-11,16,18H2,1-5H3,(H,27,31)

InChi Info:

AuxInfo=1/1/N:1,25,26,27,23,2,3,4,32,31,33,17,21,18,20,5,12,7,30,16,19,13,11,8,28,24,10,14,6,15,9,29,22/E:(2,3,4)(10,11)(12,13)(14,15)/rA:33nCCCCCNCCONCCCNNCCCCCCOCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s15;s16;d17;s18;d19;d16s20;s19;s22;s13;s24;s24;s24;s6;d28;s28;s30;s31;s30s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₃₈N₄O₃
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	13.525
Area:	739.61
Solvation:	-4.96528
Coulombic:	-49.9234

Bond Count [?]

All:	35
Single:	28
Double:	7
Rotors:	13
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	454.605
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	4.72
LogP (Chemaxon):	4.9

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