Chemical ID: 4643461

CCOc1ccc2cc(c(nc2c1)Cl)C3CC(=NN3S(=O)(=O)c4ccccc4)c5ccccc5
Chemical ID:
4643461
Name [?]:
2-chloro-7-ethoxy-3-(5-phenyl-2-phenylsulfonyl-3,4-dihydropyrazol-3-yl)-quinoline
SMILES [?]:
CCOc1ccc2cc(c(nc2c1)Cl)C3CC(=NN3S(=O)(=O)c4ccccc4)c5ccccc5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H22ClN3O3S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:2
ZAP Information [?]
Total:12.3422
Area:663.797
Solvation:-4.25276
Coulombic:-23.3824
Bond Count [?]
All:38
Single:24
Double:14
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:491.99
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.96
LogP (Chemaxon):5.91

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