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Chemical ID: 6038846
Chemical ID:
6038846
Name [?]:
N-benzyl-N-[2-(isopentylcarbamoyl)ethyl]pyrazine-2-carboxamide
SMILES [?]:
CC(C)CCNC(=O)CCN(Cc1ccccc1)C(=O)c2cnccn2
InChi [?]:
InChI=1/C20H26N4O2/c1-16(2)8-10-23-19(25)9-13-24(15-17-6-4-3-5-7-17)20(26)18-14-21-11-12-22-18/h3-7,11-12,14,16H,8-10,13,15H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,3,16,15,17,14,18,4,9,5,24,25,10,22,12,2,13,21,7,19,23,26,6,11,8,20/E:(1,2)(4,5)(6,7)/rA:26nCCCCCNCOCCNCCCCCCCCOCCNCCN/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s11;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26N4O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6483 |
Area: | 597.75 |
Solvation: | -3.29542 |
Coulombic: | -50.3487 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 354.446 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.54 |
LogP (Chemaxon): | 1.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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