Chemical ID: 4354050

COc1ccc(cc1OC)C2C(=C(C(=O)N2CC=C)O)C(=O)c3ccccc3
Chemical ID:
4354050
Name [?]:
1-allyl-4-benzoyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
COc1ccc(cc1OC)C2C(=C(C(=O)N2CC=C)O)C(=O)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H21NO5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:7.83784
Area:598.794
Solvation:-7.13201
Coulombic:-58.8819
Bond Count [?]
All:30
Single:20
Double:10
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:379.406
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.38
LogP (Chemaxon):2.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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