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Chemical ID: 6038808

Chemical ID:

6038808

Name [?]:

N-benzyl-N-[2-(sec-butylcarbamoyl)ethyl]pyrazine-2-carboxamide

SMILES [?]:

CCC(C)NC(=O)CCN(Cc1ccccc1)C(=O)c2cnccn2

InChi [?]:

InChI=1/C19H24N4O2/c1-3-15(2)22-18(24)9-12-23(14-16-7-5-4-6-8-16)19(25)17-13-20-10-11-21-17/h4-8,10-11,13,15H,3,9,12,14H2,1-2H3,(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,4,2,15,14,16,13,17,8,23,24,9,21,11,3,12,20,6,18,22,25,5,10,7,19/E:(5,6)(7,8)/rA:25cCCCCNCOCCNCCCCCCCCOCCNCCN/rB:s1;s2;s3;s3;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:	C₁₉H₂₄N₄O₂
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	1

ZAP Information [?]

Total:	10.8457
Area:	562.509
Solvation:	-3.21707
Coulombic:	-49.8698

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	10
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	340.42
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	1.92
LogP (Chemaxon):	1.07

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