Chemical ID: 4319677

CCOc1cc(ccc1OC(=O)C)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC4CCCCC4)C
Chemical ID:
4319677
Name [?]:
cyclohexyl 4-(4-acetoxy-3-ethoxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
SMILES [?]:
CCOc1cc(ccc1OC(=O)C)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC4CCCCC4)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C29H37NO6
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:12.3093
Area:686.341
Solvation:-4.84923
Coulombic:-63.7603
Bond Count [?]
All:39
Single:31
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:495.607
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.99
LogP (Chemaxon):2.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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