Chemical ID: 4453829

CCc1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3)OC(=O)C)SC2=S
Chemical ID:
4453829
Name [?]:
[4-[[3-(4-ethylphenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]phenyl] acetate
SMILES [?]:
CCc1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3)OC(=O)C)SC2=S
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H17NO3S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.0822
Area:596.341
Solvation:-2.82633
Coulombic:-37.2759
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:383.486
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.08
LogP (Chemaxon):4.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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