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Chemical ID: 7165360
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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