Chemical ID: 6038952

CCCCN(CCC(=O)NCc1ccc(cc1)F)C(=O)c2cnccn2
Chemical ID:
6038952
Name [?]:
N-butyl-N-[2-[(4-fluorophenyl)methylcarbamoyl]ethyl]pyrazine-2-carboxamide
SMILES [?]:
CCCCN(CCC(=O)NCc1ccc(cc1)F)C(=O)c2cnccn2
InChi [?]:
InChI=1/C19H23FN4O2/c1-2-3-11-24(19(26)17-14-21-9-10-22-17)12-8-18(25)23-13-15-4-6-16(20)7-5-15/h4-7,9-10,14H,2-3,8,11-13H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,13,17,14,16,7,24,25,4,6,11,22,12,15,21,8,19,18,23,26,10,5,9,20/E:(4,5)(6,7)/rA:26nCCCCNCCCONCCCCCCCFCOCCNCCN/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s5;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23FN4O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.7674
Area:597.136
Solvation:-4.16103
Coulombic:-53.151
Bond Count [?]
All:27
Single:19
Double:8
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:358.41
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.19
LogP (Chemaxon):1.19

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