ChemDB: Chemical Search
Download
Chemical ID: 7159272
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|