Chemical ID: 4326280

C=CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=Nc4ccccc4
Chemical ID:
4326280
Name [?]:
3-allyl-5-(benzo[1,3]dioxol-5-ylmethylene)-2-phenylimino-thiazolidin-4-one
SMILES [?]:
C=CCN1C(=O)C(=Cc2ccc3c(c2)OCO3)SC1=Nc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H16N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.0985
Area:539.249
Solvation:-3.38272
Coulombic:-43.5195
Bond Count [?]
All:29
Single:19
Double:10
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:364.419
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.61
LogP (Chemaxon):5.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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