Chemical ID: 5668969

COc1ccc(cc1OC)C2C(=C(c3ccc(cc3)Cl)O)C(=O)C(=O)N2CCCO
Chemical ID:
5668969
Name [?]:
4-[(4-chlorophenyl)-hydroxy-methylene]-5-(3,4-dimethoxyphenyl)-1-(3-hydroxypropyl)pyrrolidine-2,3-dione
SMILES [?]:
COc1ccc(cc1OC)C2C(=C(c3ccc(cc3)Cl)O)C(=O)C(=O)N2CCCO
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H22ClNO6
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:7.27385
Area:627.855
Solvation:-8.42253
Coulombic:-74.2239
Bond Count [?]
All:32
Single:23
Double:9
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:431.866
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.39
LogP (Chemaxon):1.39

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Experimental Annotations

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Descriptor Annotations

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