Chemical ID: 6776668

CCOc1ccccc1N(C)S(=O)(=O)c2ccc3c(c2)c(=O)c(c[nH]3)C(=O)N4CCC(CC4)C(=O)OCC
Chemical ID:
6776668
Name [?]:
ethyl 1-[[6-[(2-ethoxyphenyl)-methyl-sulfamoyl]-4-oxo-1H-quinolin-3-yl]carbonyl]piperidine-4-carboxylate
SMILES [?]:
CCOc1ccccc1N(C)S(=O)(=O)c2ccc3c(c2)c(=O)c(c[nH]3)C(=O)N4CCC(CC4)C(=O)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H31N3O7S
All Atoms:69
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:11.777
Area:778.756
Solvation:-7.69189
Coulombic:-66.9471
Bond Count [?]
All:41
Single:29
Double:12
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:541.617
H-Bond Donors:0
H-Bond Acceptors:9
XLogP:3.51
LogP (Chemaxon):2.46

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