Chemical ID: 7164680

CSc1nnc(n1N=Cc2cc(c(s2)Br)Br)C(F)F
Chemical ID:
7164680
Name [?]:
1-(4,5-dibromo-2-thienyl)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-methanimine
SMILES [?]:
CSc1nnc(n1N=Cc2cc(c(s2)Br)Br)C(F)F
InChi [?]:
InChI=1/C9H6Br2F2N4S2/c1-18-9-16-15-8(7(12)13)17(9)14-3-4-2-5(10)6(11)19-4/h2-3,7H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,9,10,12,13,17,6,3,16,15,18,19,8,5,4,7,2,14/E:(12,13)/rA:19nCSCNNCNNCCCCCSBrBrCFF/rB:s1;s2;d3;s4;d5;s3s6;s7;w8;s9;d10;s11;d12;s10s13;s13;s12;s6;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6Br2F2N4S2
All Atoms:25
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.12008
Area:493.199
Solvation:-3.2099
Coulombic:-21.499
Bond Count [?]
All:20
Single:15
Double:5
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:432.108
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.51
LogP (Chemaxon):3.51

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