Chemical ID: 5981976

CCOC(=O)C1CCN(CC1)C(=O)c2cc(nn2c3ccc(c(c3)Cl)Cl)c4ccc(c(c4)C)C
Chemical ID:
5981976
Name [?]:
ethyl 1-[2-(3,4-dichlorophenyl)-5-(3,4-dimethylphenyl)-pyrazol-3-yl]carbonylpiperidine-4-carboxylate
SMILES [?]:
CCOC(=O)C1CCN(CC1)C(=O)c2cc(nn2c3ccc(c(c3)Cl)Cl)c4ccc(c(c4)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H27Cl2N3O3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:14.9291
Area:744.797
Solvation:-3.69084
Coulombic:-42.7705
Bond Count [?]
All:37
Single:27
Double:10
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:500.416
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.36
LogP (Chemaxon):5.39

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