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Chemical ID: 6038550
Chemical ID:
6038550
Name [?]:
5-methyl-N-(2-morpholinocarbonylethyl)-N-(tetrahydrofuran-2-ylmethyl)pyrazine-2-carboxamide
SMILES [?]:
Cc1cnc(cn1)C(=O)N(CCC(=O)N2CCOCC2)CC3CCCO3
InChi [?]:
InChI=1/C18H26N4O4/c1-14-11-20-16(12-19-14)18(24)22(13-15-3-2-8-26-15)5-4-17(23)21-6-9-25-10-7-21/h11-12,15H,2-10,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,12,11,16,20,25,17,19,3,6,21,2,22,5,13,8,7,4,15,10,14,9,18,26/E:(6,7)(9,10)/rA:26cCCCNCCNCONCCCONCCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s13;s15;s16;s17;s18;s15s19;s10;s21;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H26N4O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.261 |
Area: | 575.162 |
Solvation: | -6.11805 |
Coulombic: | -57.8353 |
Bond Count [?]
All: | 28 |
Single: | 23 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 362.424 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | -0.62 |
LogP (Chemaxon): | -1.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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