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Chemical ID: 6038011

Cc1cnc(cn1)C(=O)N(CCC(=O)NC2CCCCC2)CCN3CCOCC3

Chemical ID:

6038011

Name [?]:

N-[2-(cyclohexylcarbamoyl)ethyl]-5-methyl-N-(2-morpholinoethyl)pyrazine-2-carboxamide

SMILES [?]:

Cc1cnc(cn1)C(=O)N(CCC(=O)NC2CCCCC2)CCN3CCOCC3

InChi [?]:

InChI=1/C21H33N5O3/c1-17-15-23-19(16-22-17)21(28)26(10-9-25-11-13-29-14-12-25)8-7-20(27)24-18-5-3-2-4-6-18/h15-16,18H,2-14H2,1H3,(H,24,27)

InChi Info:

AuxInfo=1/1/N:1,19,18,20,17,21,12,11,23,22,25,29,26,28,3,6,2,16,5,13,8,7,4,15,24,10,14,9,27/E:(3,4)(5,6)(11,12)(13,14)/rA:29nCCCNCCNCONCCCONCCCCCCCCNCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s13;s15;s16;s17;s18;s19;s16s20;s10;s22;s23;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₃₃N₅O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.4441
Area:	639.555
Solvation:	-4.54479
Coulombic:	-61.3218

Bond Count [?]

All:	31
Single:	26
Double:	5
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	403.519
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	0.57
LogP (Chemaxon):	-0.54

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value