Chemical ID: 7159272

CCn1c(c(cn1)Br)C=NNC(=O)Cn2c(c(c(n2)C(F)F)Br)C
Chemical ID:
7159272
Name [?]:
2-[4-bromo-3-(difluoromethyl)-5-methyl-pyrazol-1-yl]-N-[(4-bromo-2-ethyl-pyrazol-3-yl)methyleneamino]acetamide
SMILES [?]:
CCn1c(c(cn1)Br)C=NNC(=O)Cn2c(c(c(n2)C(F)F)Br)C
InChi [?]:
InChI=1/C13H14Br2F2N6O/c1-3-22-9(8(14)4-19-22)5-18-20-10(24)6-23-7(2)11(15)12(21-23)13(16)17/h4-5,13H,3,6H2,1-2H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,24,2,6,9,14,16,5,4,12,17,18,20,8,23,21,22,10,7,11,19,3,15,13/E:(16,17)/rA:24nCCNCCCNBrCNNCOCNCCCNCFFBrC/rB:s1;s2;s3;d4;s5;s3d6;s5;s4;w9;s10;s11;d12;s12;s14;s15;d16;s17;s15d18;s18;s20;s20;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14Br2F2N6O
All Atoms:38
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:6.83593
Area:557.129
Solvation:-7.09229
Coulombic:-34.1078
Bond Count [?]
All:25
Single:19
Double:6
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:468.095
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.54
LogP (Chemaxon):1.98

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