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Chemical ID: 7166848
Chemical ID:
7166848
Name [?]:
N-[3-(difluoromethyl)-5-ethylsulfanyl-1,2,4-triazol-4-yl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILES [?]:
CCSc1nnc(n1NC(=O)c2cc(nn2C)C(F)(F)F)C(F)F
InChi [?]:
InChI=1/C11H11F5N6OS/c1-3-24-10-18-17-8(7(12)13)22(10)20-9(23)5-4-6(11(14,15)16)19-21(5)2/h4,7H,3H2,1-2H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,17,2,13,12,14,22,7,10,4,18,23,24,19,20,21,6,5,15,9,16,8,11,3/E:(12,13)(14,15,16)/rA:24nCCSCNNCNNCOCCCNNCCFFFCFF/rB:s1;s2;s3;d4;s5;d6;s4s7;s8;s9;d10;s10;d12;s13;d14;s12s15;s16;s14;s18;s18;s18;s7;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11F5N6OS |
All Atoms: | 35 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.141 |
Area: | 503.458 |
Solvation: | -5.44545 |
Coulombic: | -60.8325 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.16 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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