Chemical ID: 4353856

COc1ccc(cc1OC)C2C(=C(C(=O)N2CCO)O)C(=O)c3ccc(cc3)Cl
Chemical ID:
4353856
Name [?]:
4-(4-chlorobenzoyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(2-hydroxyethyl)-5H-pyrrol-2-one
SMILES [?]:
COc1ccc(cc1OC)C2C(=C(C(=O)N2CCO)O)C(=O)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H20ClNO6
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:7.47858
Area:618.508
Solvation:-7.98412
Coulombic:-73.7272
Bond Count [?]
All:31
Single:22
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:417.839
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.67
LogP (Chemaxon):1.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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