Chemical ID: 4472270

CN(C)CCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCO3)c4cccc(c4)Br
Chemical ID:
4472270
Name [?]:
4-benzo[1,3]dioxol-5-ylcarbonyl-5-(3-bromophenyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCN1C(C(=C(C1=O)O)C(=O)c2ccc3c(c2)OCO3)c4cccc(c4)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H21BrN2O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:9.99193
Area:625.548
Solvation:-5.64675
Coulombic:-64.0419
Bond Count [?]
All:33
Single:24
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:473.317
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.61
LogP (Chemaxon):0.09

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Descriptor Annotations

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