Chemical ID: 4151857

COc1cc(ccc1OCc2ccccc2)C=C3C(=O)N(C(=S)S3)CC(=O)O
Chemical ID:
4151857
Name [?]:
2-[5-[(4-benzyloxy-3-methoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid
SMILES [?]:
COc1cc(ccc1OCc2ccccc2)C=C3C(=O)N(C(=S)S3)CC(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H17NO5S2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.23339
Area:628.922
Solvation:-6.48966
Coulombic:-60.3025
Bond Count [?]
All:30
Single:20
Double:10
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:415.485
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.48
LogP (Chemaxon):3.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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