Chemical ID: 7165020

CCn1cc(cn1)C=Nn2c(nnc2SC)C(F)F
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

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Descriptor Annotations

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