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Chemical ID: 6038273
Chemical ID:
6038273
Name [?]:
N-[2-(cyclopropylcarbamoyl)ethyl]-5-methyl-N-phenethyl-pyrazine-2-carboxamide
SMILES [?]:
Cc1cnc(cn1)C(=O)N(CCc2ccccc2)CCC(=O)NC3CC3
InChi [?]:
InChI=1/C20H24N4O2/c1-15-13-22-18(14-21-15)20(26)24(11-9-16-5-3-2-4-6-16)12-10-19(25)23-17-7-8-17/h2-6,13-14,17H,7-12H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,18,25,26,12,20,11,19,3,6,2,13,24,5,21,8,7,4,23,10,22,9/E:(3,4)(5,6)(7,8)/rA:26nCCCNCCNCONCCCCCCCCCCCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s10;s19;s20;d21;s21;s23;s24;s24s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N4O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7128 |
Area: | 596.957 |
Solvation: | -3.21117 |
Coulombic: | -49.4444 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 352.43 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.7 |
LogP (Chemaxon): | 0.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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