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Chemical ID: 6038871

Chemical ID:

6038871

Name [?]:

N-[2-(butylcarbamoyl)ethyl]-N-phenethyl-pyrazine-2-carboxamide

SMILES [?]:

CCCCNC(=O)CCN(CCc1ccccc1)C(=O)c2cnccn2

InChi [?]:

InChI=1/C20H26N4O2/c1-2-3-11-23-19(25)10-15-24(14-9-17-7-5-4-6-8-17)20(26)18-16-21-12-13-22-18/h4-8,12-13,16H,2-3,9-11,14-15H2,1H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,2,3,16,15,17,14,18,12,8,4,24,25,11,9,22,13,21,6,19,23,26,5,10,7,20/E:(5,6)(7,8)/rA:26nCCCCNCOCCNCCCCCCCCCOCCNCCN/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s10;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₆N₄O₂
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0603
Area:	612.559
Solvation:	-3.25371
Coulombic:	-50.3

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	354.446
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.19
LogP (Chemaxon):	1.31

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