Chemical ID: 6039321

Cc1cnc(cn1)C(=O)NCCC(=O)Nc2ccc(cc2)F
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

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Descriptor Annotations

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