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Chemical ID: 6038491
Chemical ID:
6038491
Name [?]:
5-methyl-N-[2-(phenethylcarbamoyl)ethyl]-N-propyl-pyrazine-2-carboxamide
SMILES [?]:
CCCN(CCC(=O)NCCc1ccccc1)C(=O)c2cnc(cn2)C
InChi [?]:
InChI=1/C20H26N4O2/c1-3-12-24(20(26)18-15-22-16(2)14-23-18)13-10-19(25)21-11-9-17-7-5-4-6-8-17/h4-8,14-15H,3,9-13H2,1-2H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,26,2,15,14,16,13,17,11,6,10,3,5,24,21,23,12,20,7,18,9,22,25,4,8,19/E:(5,6)(7,8)/rA:26nCCCNCCCONCCCCCCCCCOCCNCCNC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;s4;d18;s18;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26N4O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9777 |
Area: | 609.616 |
Solvation: | -3.26266 |
Coulombic: | -49.8709 |
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: | 1.93 |
LogP (Chemaxon): | 1.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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