Chemical ID: 6038103

CCCCNC(=O)CCN(Cc1ccc(cc1)F)C(=O)c2cnc(cn2)C
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

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Descriptor Annotations

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