Chemical ID: 5658622

COc1ccc(c(c1)OC)C2C(=C(c3ccc(cc3)Cl)O)C(=O)C(=O)N2CCO
Chemical ID:
5658622
Name [?]:
4-[(4-chlorophenyl)-hydroxy-methylene]-5-(2,4-dimethoxyphenyl)-1-(2-hydroxyethyl)pyrrolidine-2,3-dione
SMILES [?]:
COc1ccc(c(c1)OC)C2C(=C(c3ccc(cc3)Cl)O)C(=O)C(=O)N2CCO
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H20ClNO6
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:8.26703
Area:580.067
Solvation:-6.23464
Coulombic:-74.8682
Bond Count [?]
All:31
Single:22
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:417.839
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.3
LogP (Chemaxon):1.34

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Experimental Annotations

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Descriptor Annotations

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