Chemical ID: 4208539

c1cc(cnc1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)c4ccc(cc4)Br
Chemical ID:
4208539
Name [?]:
4-(4-bromobenzoyl)-3-hydroxy-1-(3-morpholinopropyl)-5-(3-pyridyl)-5H-pyrrol-2-one
SMILES [?]:
c1cc(cnc1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)c4ccc(cc4)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H24BrN3O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.5269
Area:674.376
Solvation:-6.33246
Coulombic:-59.7242
Bond Count [?]
All:34
Single:25
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:486.358
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.56
LogP (Chemaxon):-0.71

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