Chemical ID: 4858753

CN(C)CCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4cccc(c4)Br
Chemical ID:
4858753
Name [?]:
5-(3-bromophenyl)-1-(2-dimethylaminoethyl)-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCCO3)c4cccc(c4)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H23BrN2O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.1022
Area:639.288
Solvation:-5.88
Coulombic:-63.9944
Bond Count [?]
All:34
Single:25
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:487.343
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.47
LogP (Chemaxon):-0.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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