Chemical ID: 5679438

c1ccc(cc1)N2CC[NH+](CC2)CCCC(=O)c3ccc(cc3)F
Chemical ID:
5679438
Name [?]:
1-(4-fluorophenyl)-4-(4-phenyl-2,3,5,6-tetrahydropyrazin-1-yl)-butan-1-one
SMILES [?]:
c1ccc(cc1)N2CC[NH+](CC2)CCCC(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C20H23FN2O/c21-18-10-8-17(9-11-18)20(24)7-4-12-22-13-15-23(16-14-22)19-5-2-1-3-6-19/h1-3,5-6,8-11H,4,7,12-16H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,14,3,5,15,19,23,20,22,13,9,11,8,12,18,21,4,16,24,10,7,17/E:(2,3)(5,6)(8,9)(10,11)(13,14)(15,16)/rA:24nCCCCCCNCCN+CCCCCCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24FN2O+
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-20.3071
Area:550.07
Solvation:-34.0589
Coulombic:11.1812
Bond Count [?]
All:26
Single:19
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:327.416
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.87
LogP (Chemaxon):3.75

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Descriptor Annotations

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