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Chemical ID: 5884307

Cc1ccc(c(c1)C)n2c(cc(n2)C(C)(C)C)NC(=O)CN(CC(C)C)C(=O)Nc3ccccc3

Chemical ID:

5884307

Name [?]:

N-[2-(2,4-dimethylphenyl)-5-tert-butyl-pyrazol-3-yl]-2-(isobutyl-(phenylcarbamoyl)amino)-acetamide

SMILES [?]:

Cc1ccc(c(c1)C)n2c(cc(n2)C(C)(C)C)NC(=O)CN(CC(C)C)C(=O)Nc3ccccc3

InChi [?]:

InChI=1/C28H37N5O2/c1-19(2)17-32(27(35)29-22-11-9-8-10-12-22)18-26(34)30-25-16-24(28(5,6)7)31-33(25)23-14-13-20(3)15-21(23)4/h8-16,19H,17-18H2,1-7H3,(H,29,35)(H,30,34)

InChi Info:

AuxInfo=1/1/N:25,26,1,8,15,16,17,33,32,34,31,35,3,4,7,11,23,21,24,2,6,30,5,12,10,19,27,14,29,18,13,22,9,20,28/E:(1,2)(5,6,7)(9,10)(11,12)/rA:35nCCCCCCCCNCCCNCCCCNCOCNCCCCCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s12;s14;s14;s14;s10;s18;d19;s19;s21;s22;s23;s24;s24;s22;d27;s27;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₃₇N₅O₂
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	15.0376
Area:	755.44
Solvation:	-3.84835
Coulombic:	-57.8267

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	11
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	475.626
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.06
LogP (Chemaxon):	6.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value