Chemical ID: 7165360

CCn1cc(c(n1)C)C=Nn2c(nnc2SC)C(F)F
Chemical ID:
7165360
Name [?]:
N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(1-ethyl-3-methyl-pyrazol-4-yl)-methanimine
SMILES [?]:
CCn1cc(c(n1)C)C=Nn2c(nnc2SC)C(F)F
InChi [?]:
InChI=1/C11H14F2N6S/c1-4-18-6-8(7(2)17-18)5-14-19-10(9(12)13)15-16-11(19)20-3/h5-6,9H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,17,2,9,4,6,5,18,12,15,19,20,10,13,14,7,3,11,16/E:(12,13)/rA:20nCCNCCCNCCNNCNNCSCCFF/rB:s1;s2;s3;d4;s5;s3d6;s6;s5;w9;s10;s11;d12;s13;s11d14;s15;s16;s12;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14F2N6S
All Atoms:34
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.40016
Area:480.06
Solvation:-4.60135
Coulombic:-23.4642
Bond Count [?]
All:21
Single:16
Double:5
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:300.332
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.4
LogP (Chemaxon):1.37

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Descriptor Annotations

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