Chemical ID: 4440654

CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccs3)Cc4ccco4)O
Chemical ID:
4440654
Name [?]:
4-(4-ethoxybenzoyl)-1-(2-furylmethyl)-3-hydroxy-5-(2-thienyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccs3)Cc4ccco4)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H19NO5S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:8.89198
Area:623.121
Solvation:-6.68605
Coulombic:-56.4247
Bond Count [?]
All:32
Single:22
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:409.456
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.01
LogP (Chemaxon):2.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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