Chemical ID: 5991426

CCOc1ccccc1N2CCN(CC2)C(=O)c3cc(nn3c4ccccc4Cl)c5ccc(o5)C
Chemical ID:
5991426
Name [?]:
[2-(2-chlorophenyl)-5-(5-methyl-2-furyl)-pyrazol-3-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]-methanone
SMILES [?]:
CCOc1ccccc1N2CCN(CC2)C(=O)c3cc(nn3c4ccccc4Cl)c5ccc(o5)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H27ClN4O3
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:12.6611
Area:724.035
Solvation:-5.43979
Coulombic:-45.6297
Bond Count [?]
All:39
Single:28
Double:11
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:490.981
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.29
LogP (Chemaxon):4.52

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