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Chemical ID: 6038841

Chemical ID:

6038841

Name [?]:

N-benzyl-N-[2-(2-methoxyethylcarbamoyl)ethyl]pyrazine-2-carboxamide

SMILES [?]:

COCCNC(=O)CCN(Cc1ccccc1)C(=O)c2cnccn2

InChi [?]:

InChI=1/C18H22N4O3/c1-25-12-10-21-17(23)7-11-22(14-15-5-3-2-4-6-15)18(24)16-13-19-8-9-20-16/h2-6,8-9,13H,7,10-12,14H2,1H3,(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,15,14,16,13,17,8,23,24,4,9,3,21,11,12,20,6,18,22,25,5,10,7,19,2/E:(3,4)(5,6)/rA:25nCOCCNCOCCNCCCCCCCCOCCNCCN/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s10;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₂N₄O₃
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	9.36392
Area:	569.855
Solvation:	-4.88247
Coulombic:	-56.7312

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	11
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	342.392
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	0.49
LogP (Chemaxon):	-0.32

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value