Chemical ID: 4688700

c1cc2c(cc1C(F)(F)F)[nH]c(=O)c(=O)n2CCNc3c(cc(cn3)C(F)(F)F)Cl
Chemical ID:
4688700
Name [?]:
1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]ethyl]-6-(trifluoromethyl)-4H-quinoxaline-2,3-dione
SMILES [?]:
c1cc2c(cc1C(F)(F)F)[nH]c(=O)c(=O)n2CCNc3c(cc(cn3)C(F)(F)F)Cl
InChi [?]:
InChI=1/C17H11ClF6N4O2/c18-10-5-9(17(22,23)24)7-26-13(10)25-3-4-28-12-2-1-8(16(19,20)21)6-11(12)27-14(29)15(28)30/h1-2,5-7H,3-4H2,(H,25,26)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,22,5,24,6,23,21,4,3,20,12,14,7,26,30,8,9,10,27,28,29,19,25,11,16,13,15/E:(19,20,21)(22,23,24)/rA:30nCCCCCCCFFFNCOCONCCNCCCCCNCFFFCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s4;s11;d12;s12;d14;s3s14;s16;s17;s18;s19;s20;d21;s22;d23;d20s24;s23;s26;s26;s26;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11ClF6N4O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.0604
Area:597.238
Solvation:-4.87054
Coulombic:-93.6254
Bond Count [?]
All:32
Single:24
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:452.738
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.55
LogP (Chemaxon):4.18

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