Chemical ID: 6038870

CCC(C)NC(=O)CCN(CCc1ccccc1)C(=O)c2cnccn2
Chemical ID:
6038870
Name [?]:
N-phenethyl-N-[2-(sec-butylcarbamoyl)ethyl]pyrazine-2-carboxamide
SMILES [?]:
CCC(C)NC(=O)CCN(CCc1ccccc1)C(=O)c2cnccn2
InChi [?]:
InChI=1/C20H26N4O2/c1-3-16(2)23-19(25)10-14-24(13-9-17-7-5-4-6-8-17)20(26)18-15-21-11-12-22-18/h4-8,11-12,15-16H,3,9-10,13-14H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,4,2,16,15,17,14,18,12,8,24,25,11,9,22,3,13,21,6,19,23,26,5,10,7,20/E:(5,6)(7,8)/rA:26cCCCCNCOCCNCCCCCCCCCOCCNCCN/rB:s1;s2;s3;s3;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:1
ZAP Information [?]
Total:11.6934
Area:596.419
Solvation:-3.21708
Coulombic:-50.0814
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:2.08
LogP (Chemaxon):1.32

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