Chemical ID: 5161634

CC(C)NC(=O)c1cc2nc(cc(n2n1)C(F)(F)F)c3ccco3
Chemical ID:
5161634
Name [?]:
3-(2-furyl)-N-isopropyl-5-(trifluoromethyl)-2,6,7-triazabicyclo[4.3.0]nona-2,4,7,9-tetraene-8-carboxamide
SMILES [?]:
CC(C)NC(=O)c1cc2nc(cc(n2n1)C(F)(F)F)c3ccco3
InChi [?]:
InChI=1/C15H13F3N4O2/c1-8(2)19-14(23)10-7-13-20-9(11-4-3-5-24-11)6-12(15(16,17)18)22(13)21-10/h3-8H,1-2H3,(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,3,22,21,23,12,8,2,11,7,20,13,9,5,16,17,18,19,4,10,15,14,6,24/E:(1,2)(16,17,18)/rA:24nCCCNCOCCCNCCCNNCFFFCCCCO/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;s11;d12;s9s13;d7s14;s13;s16;s16;s16;s11;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13F3N4O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.53122
Area:511.091
Solvation:-3.24606
Coulombic:-59.4975
Bond Count [?]
All:26
Single:19
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:338.285
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.01
LogP (Chemaxon):2.65

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