Chemical ID: 4852909

CN(C)CCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OCC=C)c3ccc(cc3)Br
Chemical ID:
4852909
Name [?]:
4-(4-allyloxybenzoyl)-5-(4-bromophenyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)OCC=C)c3ccc(cc3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H25BrN2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.6361
Area:674.196
Solvation:-5.21877
Coulombic:-57.8572
Bond Count [?]
All:33
Single:23
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:485.37
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.38
LogP (Chemaxon):0.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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