Chemical ID: 6857572

COC(=O)c1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3)OCc4ccccc4)SC2=S
Chemical ID:
6857572
Name [?]:
methyl 4-[5-[(4-benzyloxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoate
SMILES [?]:
COC(=O)c1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3)OCc4ccccc4)SC2=S
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H19NO4S2
All Atoms:51
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.3617
Area:701.713
Solvation:-4.18114
Coulombic:-48.5125
Bond Count [?]
All:35
Single:22
Double:13
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:461.555
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.95
LogP (Chemaxon):5.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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