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Chemical ID: 6038409
Chemical ID:
6038409
Name [?]:
N-cyclopropyl-5-methyl-N-[2-(1-phenylethylcarbamoyl)ethyl]pyrazine-2-carboxamide
SMILES [?]:
Cc1cnc(cn1)C(=O)N(CCC(=O)NC(C)c2ccccc2)C3CC3
InChi [?]:
InChI=1/C20H24N4O2/c1-14-12-22-18(13-21-14)20(26)24(17-8-9-17)11-10-19(25)23-15(2)16-6-4-3-5-7-16/h3-7,12-13,15,17H,8-11H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,17,21,20,22,19,23,25,26,12,11,3,6,2,16,18,24,5,13,8,7,4,15,10,14,9/E:(4,5)(6,7)(8,9)/rA:26cCCCNCCNCONCCCONCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s13;s15;s16;s16;s18;d19;s20;d21;d18s22;s10;s24;s24s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24N4O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5183 |
Area: | 580.462 |
Solvation: | -2.99323 |
Coulombic: | -49.6421 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 352.43 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.06 |
LogP (Chemaxon): | 0.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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