Chemical ID: 7166848

CCSc1nnc(n1NC(=O)c2cc(nn2C)C(F)(F)F)C(F)F
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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