Chemical ID: 4190845

CN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)Br)c3ccc(c(c3)OC)OC
Chemical ID:
4190845
Name [?]:
4-(4-bromobenzoyl)-5-(3,4-dimethoxyphenyl)-3-hydroxy-1-methyl-5H-pyrrol-2-one
SMILES [?]:
CN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)Br)c3ccc(c(c3)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18BrNO5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:7.22017
Area:578.726
Solvation:-7.24797
Coulombic:-56.6029
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:432.265
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.56
LogP (Chemaxon):2.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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