Chemical ID: 4544933

CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=Nc4ccc(cc4)OC
Chemical ID:
4544933
Name [?]:
5-(benzo[1,3]dioxol-5-ylmethylene)-3-ethyl-2-(4-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=Nc4ccc(cc4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18N2O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.32297
Area:560.098
Solvation:-4.67948
Coulombic:-47.9171
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:382.434
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.33
LogP (Chemaxon):4.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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