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Chemical ID: 6038242
Chemical ID:
6038242
Name [?]:
N-[2-(cyclohexylcarbamoyl)ethyl]-5-methyl-N-phenethyl-pyrazine-2-carboxamide
SMILES [?]:
Cc1cnc(cn1)C(=O)N(CCc2ccccc2)CCC(=O)NC3CCCCC3
InChi [?]:
InChI=1/C23H30N4O2/c1-18-16-25-21(17-24-18)23(29)27(14-12-19-8-4-2-5-9-19)15-13-22(28)26-20-10-6-3-7-11-20/h2,4-5,8-9,16-17,20H,3,6-7,10-15H2,1H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,16,27,15,17,26,28,14,18,25,29,12,20,11,19,3,6,2,13,24,5,21,8,7,4,23,10,22,9/E:(4,5)(6,7)(8,9)(10,11)/rA:29nCCCNCCNCONCCCCCCCCCCCONCCCCCC/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;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H30N4O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9196 |
Area: | 641.708 |
Solvation: | -3.1231 |
Coulombic: | -50.438 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 394.51 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.98 |
LogP (Chemaxon): | 1.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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