Chemical ID: 5898296

CCOC(=O)N1CCN(CC1)C(=O)c2cc(nn2c3cccc(c3)Cl)c4ccco4
Chemical ID:
5898296
Name [?]:
ethyl 4-[2-(3-chlorophenyl)-5-(2-furyl)pyrazol-3-yl]carbonylpiperazine-1-carboxylate
SMILES [?]:
CCOC(=O)N1CCN(CC1)C(=O)c2cc(nn2c3cccc(c3)Cl)c4ccco4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21ClN4O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.4023
Area:652.674
Solvation:-3.91451
Coulombic:-60.128
Bond Count [?]
All:33
Single:24
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:428.869
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.93
LogP (Chemaxon):2.53

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