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Chemical ID: 7165020
Chemical ID:
7165020
Name [?]:
N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(1-ethylpyrazol-4-yl)-methanimine
SMILES [?]:
CCn1cc(cn1)C=Nn2c(nnc2SC)C(F)F
InChi [?]:
InChI=1/C10H12F2N6S/c1-3-17-6-7(4-13-17)5-14-18-9(8(11)12)15-16-10(18)19-2/h4-6,8H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,2,6,8,4,5,17,11,14,18,19,7,9,12,13,3,10,15/E:(11,12)/rA:19nCCNCCCNCNNCNNCSCCFF/rB:s1;s2;s3;d4;s5;s3d6;s5;w8;s9;s10;d11;s12;s10d13;s14;s15;s11;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12F2N6S |
All Atoms: | 31 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.96648 |
Area: | 466.901 |
Solvation: | -4.70604 |
Coulombic: | -23.3367 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 286.306 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.26 |
LogP (Chemaxon): | 1.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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