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Chemical ID: 6038872
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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