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Chemical ID: 6038103
Chemical ID:
6038103
Name [?]:
N-[2-(butylcarbamoyl)ethyl]-N-[(4-fluorophenyl)methyl]-5-methyl-pyrazine-2-carboxamide
SMILES [?]:
CCCCNC(=O)CCN(Cc1ccc(cc1)F)C(=O)c2cnc(cn2)C
InChi [?]:
InChI=1/C20H25FN4O2/c1-3-4-10-22-19(26)9-11-25(14-16-5-7-17(21)8-6-16)20(27)18-13-23-15(2)12-24-18/h5-8,12-13H,3-4,9-11,14H2,1-2H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,27,2,3,13,17,14,16,8,4,9,25,22,11,24,12,15,21,6,19,18,5,23,26,10,7,20/E:(5,6)(7,8)/rA:27nCCCCNCOCCNCCCCCCCFCOCCNCCNC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s10;d19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25FN4O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2387 |
Area: | 609.138 |
Solvation: | -3.98975 |
Coulombic: | -53.1918 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 372.437 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.51 |
LogP (Chemaxon): | 1.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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