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Chemical ID: 6038691

Chemical ID:

6038691

Name [?]:

N-(2-morpholinoethyl)-N-[2-(pentylcarbamoyl)ethyl]pyrazine-2-carboxamide

SMILES [?]:

CCCCCNC(=O)CCN(CCN1CCOCC1)C(=O)c2cnccn2

InChi [?]:

InChI=1/C19H31N5O3/c1-2-3-4-6-22-18(25)5-9-24(11-10-23-12-14-27-15-13-23)19(26)17-16-20-7-8-21-17/h7-8,16H,2-6,9-15H2,1H3,(H,22,25)

InChi Info:

AuxInfo=1/1/N:1,2,3,4,9,5,25,26,10,13,12,15,19,16,18,23,22,7,20,24,27,6,14,11,8,21,17/E:(12,13)(14,15)/rA:27nCCCCCNCOCCNCCNCCOCCCOCCNCCN/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s11;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₃₁N₅O₃
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0685
Area:	641.064
Solvation:	-4.95815
Coulombic:	-61.1381

Bond Count [?]

All:	28
Single:	23
Double:	5
Rotors:	13
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	377.481
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	0.34
LogP (Chemaxon):	-0.69

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

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Chemical Mix	Source	External ID	Descriptor	Value