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Chemical ID: 6038810
Chemical ID:
6038810
Name [?]:
N-benzyl-N-[2-(benzylcarbamoyl)ethyl]pyrazine-2-carboxamide
SMILES [?]:
c1ccc(cc1)CNC(=O)CCN(Cc2ccccc2)C(=O)c3cnccn3
InChi [?]:
InChI=1/C22H22N4O2/c27-21(25-15-18-7-3-1-4-8-18)11-14-26(17-19-9-5-2-6-10-19)22(28)20-16-23-12-13-24-20/h1-10,12-13,16H,11,14-15,17H2,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,18,2,6,17,19,3,5,16,20,11,26,27,12,7,24,14,4,15,23,9,21,25,28,8,13,10,22/E:(3,4)(5,6)(7,8)(9,10)/rA:28nCCCCCCCNCOCCNCCCCCCCCOCCNCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s13;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22N4O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7093 |
Area: | 610.653 |
Solvation: | -3.55699 |
Coulombic: | -51.1877 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 374.436 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.39 |
LogP (Chemaxon): | 1.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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