Chemical ID: 4402610

CN(C)CCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)Br)c3cccc(c3)OC
Chemical ID:
4402610
Name [?]:
4-(4-bromobenzoyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5-(3-methoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CN(C)CCN1C(C(=C(C1=O)O)C(=O)c2ccc(cc2)Br)c3cccc(c3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23BrN2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.3565
Area:624.839
Solvation:-5.26447
Coulombic:-55.9252
Bond Count [?]
All:31
Single:22
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:459.333
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.76
LogP (Chemaxon):0.19

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue