Chemical ID: 6039025

CCCCCCNC(=O)CCN(C1CC1)C(=O)c2cnccn2
Chemical ID:
6039025
Name [?]:
N-cyclopropyl-N-[2-(hexylcarbamoyl)ethyl]pyrazine-2-carboxamide
SMILES [?]:
CCCCCCNC(=O)CCN(C1CC1)C(=O)c2cnccn2
InChi [?]:
InChI=1/C17H26N4O2/c1-2-3-4-5-9-20-16(22)8-12-21(14-6-7-14)17(23)15-13-18-10-11-19-15/h10-11,13-14H,2-9,12H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,14,15,10,6,21,22,11,19,13,18,8,16,20,23,7,12,9,17/E:(6,7)/rA:23nCCCCCCNCOCCNCCCCOCCNCCN/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;s13s14;s12;d16;s16;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H26N4O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.1748
Area:562.21
Solvation:-2.8805
Coulombic:-48.9863
Bond Count [?]
All:24
Single:19
Double:5
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:318.414
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.0
LogP (Chemaxon):0.47

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Descriptor Annotations

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