Chemical ID: 5161652

COCCNC(=O)c1cc2nc(cc(n2n1)C(F)(F)F)c3ccco3
Chemical ID:
5161652
Name [?]:
3-(2-furyl)-N-(2-methoxyethyl)-5-(trifluoromethyl)-2,6,7-triazabicyclo[4.3.0]nona-2,4,7,9-tetraene-8-carboxamide
SMILES [?]:
COCCNC(=O)c1cc2nc(cc(n2n1)C(F)(F)F)c3ccco3
InChi [?]:
InChI=1/C15H13F3N4O3/c1-24-6-4-19-14(23)10-8-13-20-9(11-3-2-5-25-11)7-12(15(16,17)18)22(13)21-10/h2-3,5,7-8H,4,6H2,1H3,(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,23,22,4,24,3,13,9,12,8,21,14,10,6,17,18,19,20,5,11,16,15,7,2,25/E:(16,17,18)/rA:25nCOCCNCOCCCNCCCNNCFFFCCCCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;s12;d13;s10s14;d8s15;s14;s17;s17;s17;s12;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13F3N4O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.42797
Area:539.17
Solvation:-5.05129
Coulombic:-66.5208
Bond Count [?]
All:27
Single:20
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:354.284
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.94
LogP (Chemaxon):1.73

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Descriptor Annotations

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