Chemical ID: 6209003

CCOc1cc(ccc1O)C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OC4CCCC4)C
Chemical ID:
6209003
Name [?]:
methyl cyclopentyl 4-(3-ethoxy-4-hydroxy-phenyl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
SMILES [?]:
CCOc1cc(ccc1O)C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OC4CCCC4)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H33NO7
All Atoms:35
Heavy Atoms:35
Chiral Atoms:3
ZAP Information [?]
Total:9.93713
Area:655.15
Solvation:-6.44162
Coulombic:-78.5059
Bond Count [?]
All:38
Single:30
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:483.553
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.38
LogP (Chemaxon):2.15

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