Chemical ID: 4845543

CN1C(=O)C(=Cc2cc(c(c(c2)Cl)OCC=C)OC)SC1=Nc3ccc(cc3)C(=O)OC
Chemical ID:
4845543
Name [?]:
methyl 4-[5-[(4-allyloxy-3-chloro-5-methoxy-phenyl)methylene]-3-methyl-4-oxo-thiazolidin-2-ylidene]aminobenzoate
SMILES [?]:
CN1C(=O)C(=Cc2cc(c(c(c2)Cl)OCC=C)OC)SC1=Nc3ccc(cc3)C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H21ClN2O5S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:11.7296
Area:696.115
Solvation:-5.67332
Coulombic:-60.8276
Bond Count [?]
All:34
Single:23
Double:11
Rotors:8
Chiral:2
Rigid Segments:8
Chemical Properties
Molecular Weight:472.942
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.97
LogP (Chemaxon):4.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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