Chemical ID: 6458363

Cc1cc(nc2c1c(ns2)Br)C(F)(F)F
Chemical ID:
6458363
Name [?]:
7-bromo-5-methyl-3-(trifluoromethyl)-9-thia-2,8-diazabicyclo[4.3.0]nona-1,3,5,7-tetraene
SMILES [?]:
Cc1cc(nc2c1c(ns2)Br)C(F)(F)F
InChi [?]:
InChI=1/C8H4BrF3N2S/c1-3-2-4(8(10,11)12)13-7-5(3)6(9)14-15-7/h2H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,2,4,7,8,6,12,11,13,14,15,5,9,10/E:(10,11,12)/rA:15nCCCCNCCCNSBrCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s6s9;s8;s4;s12;s12;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H4BrF3N2S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.22951
Area:356.379
Solvation:-1.67996
Coulombic:-28.8944
Bond Count [?]
All:16
Single:12
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:297.096
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.34
LogP (Chemaxon):4.12

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