Chemical ID: 6038491

CCCN(CCC(=O)NCCc1ccccc1)C(=O)c2cnc(cn2)C
Chemical ID:
6038491
Name [?]:
5-methyl-N-[2-(phenethylcarbamoyl)ethyl]-N-propyl-pyrazine-2-carboxamide
SMILES [?]:
CCCN(CCC(=O)NCCc1ccccc1)C(=O)c2cnc(cn2)C
InChi [?]:
InChI=1/C20H26N4O2/c1-3-12-24(20(26)18-15-22-16(2)14-23-18)13-10-19(25)21-11-9-17-7-5-4-6-8-17/h4-8,14-15H,3,9-13H2,1-2H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,26,2,15,14,16,13,17,11,6,10,3,5,24,21,23,12,20,7,18,9,22,25,4,8,19/E:(5,6)(7,8)/rA:26nCCCNCCCONCCCCCCCCCOCCNCCNC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;s4;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26N4O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.9777
Area:609.616
Solvation:-3.26266
Coulombic:-49.8709
Bond Count [?]
All:27
Single:19
Double:8
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:354.446
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.93
LogP (Chemaxon):1.08

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Descriptor Annotations

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