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Chemical ID: 5881111

CCCCCC(=O)N(CCCC)CC(=O)Nc1cc(nn1c2ccccc2C)C(C)(C)C

Chemical ID:

5881111

Name [?]:

N-butyl-N-[[2-(o-tolyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]hexanamide

SMILES [?]:

CCCCCC(=O)N(CCCC)CC(=O)Nc1cc(nn1c2ccccc2C)C(C)(C)C

InChi [?]:

InChI=1/C26H40N4O2/c1-7-9-11-16-25(32)29(17-10-8-2)19-24(31)27-23-18-22(26(4,5)6)28-30(23)21-15-13-12-14-20(21)3/h12-15,18H,7-11,16-17,19H2,1-6H3,(H,27,31)

InChi Info:

AuxInfo=1/1/N:1,12,28,30,31,32,2,11,3,10,4,25,24,26,23,5,9,18,13,27,22,19,17,14,6,29,16,20,8,21,15,7/E:(4,5,6)/rA:32nCCCCCCONCCCCCCONCCCNNCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8;s13;d14;s14;s16;d17;s18;d19;s17s20;s21;s22;d23;s24;d25;d22s26;s27;s19;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₄₀N₄O₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	15.016
Area:	748.632
Solvation:	-3.6998
Coulombic:	-43.7566

Bond Count [?]

All:	33
Single:	26
Double:	7
Rotors:	14
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	440.622
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.65
LogP (Chemaxon):	5.96

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