Chemical ID: 6038872

c1ccc(cc1)CCN(CCC(=O)N2CCCC2)C(=O)c3cnccn3
Chemical ID:
6038872
Name [?]:
N-phenethyl-N-(2-pyrrolidin-1-ylcarbonylethyl)pyrazine-2-carboxamide
SMILES [?]:
c1ccc(cc1)CCN(CCC(=O)N2CCCC2)C(=O)c3cnccn3
InChi [?]:
InChI=1/C20H24N4O2/c25-19(23-12-4-5-13-23)9-15-24(14-8-17-6-2-1-3-7-17)20(26)18-16-21-10-11-22-18/h1-3,6-7,10-11,16H,4-5,8-9,12-15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,16,17,3,5,7,11,24,25,15,18,8,10,22,4,21,12,19,23,26,14,9,13,20/E:(2,3)(4,5)(6,7)(12,13)/rA:26nCCCCCCCCNCCCONCCCCCOCCNCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s12;s14;s15;s16;s14s17;s9;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24N4O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.1059
Area:581.647
Solvation:-3.43529
Coulombic:-44.7714
Bond Count [?]
All:28
Single:20
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:352.43
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.49
LogP (Chemaxon):0.67

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Descriptor Annotations

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