Chemical ID: 4940822

c1ccc(cc1)C(=O)CC(c2ccc3c(c2)OCO3)C(=O)c4cccs4
Chemical ID:
4940822
Name [?]:
2-benzo[1,3]dioxol-5-yl-4-phenyl-1-(2-thienyl)butane-1,4-dione
SMILES [?]:
c1ccc(cc1)C(=O)CC(c2ccc3c(c2)OCO3)C(=O)c4cccs4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H16O4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.59892
Area:564.158
Solvation:-4.50502
Coulombic:-34.4441
Bond Count [?]
All:29
Single:19
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:364.415
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.45
LogP (Chemaxon):3.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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