Chemical ID: 5139469

CCOc1cc(ccc1OCC(=O)OCC)C=C2C(=O)NC(=Nc3ccccc3F)S2
Chemical ID:
5139469
Name [?]:
ethyl 2-[2-ethoxy-4-[[2-(2-fluorophenyl)imino-4-oxo-thiazolidin-5-ylidene]methyl]phenoxy]acetate
SMILES [?]:
CCOc1cc(ccc1OCC(=O)OCC)C=C2C(=O)NC(=Nc3ccccc3F)S2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H21FN2O5S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:9.50789
Area:685.194
Solvation:-7.62197
Coulombic:-65.4624
Bond Count [?]
All:33
Single:23
Double:10
Rotors:9
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:444.477
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.36
LogP (Chemaxon):4.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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