Chemical ID: 5766805

CCc1ccc(s1)C(C2C(=O)CC(CC2=O)(C)C)C3C(=O)CC(CC3=O)(C)C
Chemical ID:
5766805
Name [?]:
2-[(4,4-dimethyl-2,6-dioxo-cyclohexyl)-(5-ethyl-2-thienyl)-methyl]-5,5-dimethyl-cyclohexane-1,3-dione
SMILES [?]:
CCc1ccc(s1)C(C2C(=O)CC(CC2=O)(C)C)C3C(=O)CC(CC3=O)(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H30O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.20273
Area:554.924
Solvation:-4.67036
Coulombic:-27.8456
Bond Count [?]
All:30
Single:24
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:402.548
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.42
LogP (Chemaxon):5.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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