Chemical ID: 4870348

c1ccc(cc1)CN2C(C(=C(C2=O)O)C(=O)c3ccc4c(c3)OCCO4)c5cccc(c5)Br
Chemical ID:
4870348
Name [?]:
1-benzyl-5-(3-bromophenyl)-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
c1ccc(cc1)CN2C(C(=C(C2=O)O)C(=O)c3ccc4c(c3)OCCO4)c5cccc(c5)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H20BrNO5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:10.1729
Area:631.763
Solvation:-5.62117
Coulombic:-60.8477
Bond Count [?]
All:37
Single:25
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:506.345
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.33
LogP (Chemaxon):4.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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