Chemical ID: 4453597

Cc1c(cccc1Cl)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)OCC(=O)O)S2
Chemical ID:
4453597
Name [?]:
2-[4-[[2-(3-chloro-2-methyl-phenyl)imino-4-oxo-thiazolidin-5-ylidene]methyl]-2-methoxy-phenoxy]acetic acid
SMILES [?]:
Cc1c(cccc1Cl)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)OCC(=O)O)S2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H17ClN2O5S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.4721
Area:650.605
Solvation:-6.79303
Coulombic:-69.1982
Bond Count [?]
All:31
Single:21
Double:10
Rotors:6
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:432.878
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.88
LogP (Chemaxon):3.73

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Experimental Annotations

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Descriptor Annotations

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