Chemical ID: 7153550

Cc1c(c(nn1CC(=O)Nn2cnnc2)C(F)F)Br
Chemical ID:
7153550
Name [?]:
2-[4-bromo-3-(difluoromethyl)-5-methyl-pyrazol-1-yl]-N-(1,2,4-triazol-4-yl)acetamide
SMILES [?]:
Cc1c(c(nn1CC(=O)Nn2cnnc2)C(F)F)Br
InChi [?]:
InChI=1/C9H9BrF2N6O/c1-5-7(10)8(9(11)12)16-18(5)2-6(19)15-17-3-13-14-4-17/h3-4,9H,2H2,1H3,(H,15,19)
InChi Info:
AuxInfo=1/1/N:1,7,12,15,2,8,3,4,16,19,17,18,13,14,10,5,11,6,9/E:(3,4)(11,12)(13,14)/rA:19nCCCCNNCCONNCNNCCFFBr/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s8;s10;s11;d12;s13;s11d14;s4;s16;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9BrF2N6O
All Atoms:28
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:5.22129
Area:441.137
Solvation:-5.80712
Coulombic:-36.135
Bond Count [?]
All:20
Single:15
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:335.108
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.82
LogP (Chemaxon):-1.18

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