Chemical ID: 4208271

c1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccncc3)CCN4CCOCC4)O)Cl
Chemical ID:
4208271
Name [?]:
4-(4-chlorobenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(4-pyridyl)-5H-pyrrol-2-one
SMILES [?]:
c1cc(ccc1C(=O)C2=C(C(=O)N(C2c3ccncc3)CCN4CCOCC4)O)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H22ClN3O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:9.93282
Area:647.98
Solvation:-6.26668
Coulombic:-60.0109
Bond Count [?]
All:33
Single:24
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:427.881
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.02
LogP (Chemaxon):-0.6

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