Chemical ID: 4417917

CCOC(=O)COc1ccc(cc1Br)C=C2C(=O)N(C(=O)S2)C(C)C(=O)OCC
Chemical ID:
4417917
Name [?]:
ethyl 2-[5-[[3-bromo-4-(ethoxycarbonylmethoxy)phenyl]methylene]-2,4-dioxo-thiazolidin-3-yl]propanoate
SMILES [?]:
CCOC(=O)COc1ccc(cc1Br)C=C2C(=O)N(C(=O)S2)C(C)C(=O)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H20BrNO7S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.8115
Area:667.172
Solvation:-5.86777
Coulombic:-72.7972
Bond Count [?]
All:30
Single:22
Double:8
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:486.335
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:3.07
LogP (Chemaxon):2.98

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Descriptor Annotations

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