Chemical ID: 5987334

COc1ccc(cc1)n2c(cc(n2)c3ccccc3Cl)C(=O)NCc4ccc(cc4)F
Chemical ID:
5987334
Name [?]:
5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-pyrazole-3-carboxamide
SMILES [?]:
COc1ccc(cc1)n2c(cc(n2)c3ccccc3Cl)C(=O)NCc4ccc(cc4)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H19ClFN3O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.9484
Area:650.137
Solvation:-5.30502
Coulombic:-40.2988
Bond Count [?]
All:34
Single:22
Double:12
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:435.878
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.85
LogP (Chemaxon):4.93

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue