ChemDB: Chemical Search
Download
Chemical ID: 6039321
Chemical ID:
6039321
Name [?]:
N-[2-[(4-fluorophenyl)carbamoyl]ethyl]-5-methyl-pyrazine-2-carboxamide
SMILES [?]:
Cc1cnc(cn1)C(=O)NCCC(=O)Nc2ccc(cc2)F
InChi [?]:
InChI=1/C15H15FN4O2/c1-10-8-19-13(9-18-10)15(22)17-7-6-14(21)20-12-4-2-11(16)3-5-12/h2-5,8-9H,6-7H2,1H3,(H,17,22)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,18,20,17,21,12,11,3,6,2,19,16,5,13,8,22,10,7,4,15,14,9/E:(2,3)(4,5)/rA:22nCCCNCCNCONCCCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15FN4O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.54677 |
Area: | 515.675 |
Solvation: | -4.34511 |
Coulombic: | -54.738 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 302.304 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.87 |
LogP (Chemaxon): | 0.29 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|