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Chemical ID: 5885700

CCN(CC(=O)Nc1cc(nn1c2cccc(c2)C)C(C)(C)C)C(=O)NC3CCCCC3

Chemical ID:

5885700

Name [?]:

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

SMILES [?]:

CCN(CC(=O)Nc1cc(nn1c2cccc(c2)C)C(C)(C)C)C(=O)NC3CCCCC3

InChi [?]:

InChI=1/C25H37N5O2/c1-6-29(24(32)26-19-12-8-7-9-13-19)17-23(31)27-22-16-21(25(3,4)5)28-30(22)20-14-10-11-18(2)15-20/h10-11,14-16,19H,6-9,12-13,17H2,1-5H3,(H,26,32)(H,27,31)

InChi Info:

AuxInfo=1/1/N:1,19,21,22,23,2,30,29,31,15,16,28,32,14,18,9,4,17,27,13,10,8,5,24,20,26,7,11,3,12,6,25/E:(3,4,5)(8,9)(12,13)/rA:32nCCNCCONCCCNNCCCCCCCCCCCCONCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s17;s10;s20;s20;s20;s3;d24;s24;s26;s27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₇N₅O₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	14.1394
Area:	711.423
Solvation:	-3.64613
Coulombic:	-57.3542

Bond Count [?]

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

Chemical Properties

Molecular Weight:	439.594
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.44
LogP (Chemaxon):	4.84

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

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Chemical Mix	Source	External ID	Descriptor	Value