Chemical ID: 4100032

COc1ccccc1N2C(=O)C(=Cc3ccccc3OCc4ccccc4C#N)SC2=O
Chemical ID:
4100032
Name [?]:
2-[[2-[[3-(2-methoxyphenyl)-2,4-dioxo-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzonitrile
SMILES [?]:
COc1ccccc1N2C(=O)C(=Cc3ccccc3OCc4ccccc4C#N)SC2=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H18N2O4S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:11.8825
Area:667.781
Solvation:-4.81201
Coulombic:-48.9786
Bond Count [?]
All:35
Single:22
Double:12
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:442.487
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.4
LogP (Chemaxon):4.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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