Chemical ID: 4403983

CC(C)Oc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccncc3)CCCN4CCOCC4)O
Chemical ID:
4403983
Name [?]:
3-hydroxy-4-(4-isopropoxybenzoyl)-1-(3-morpholinopropyl)-5-(4-pyridyl)-5H-pyrrol-2-one
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccncc3)CCCN4CCOCC4)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H31N3O5
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:10.6719
Area:724.3
Solvation:-7.43565
Coulombic:-66.6099
Bond Count [?]
All:37
Single:28
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:465.542
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.56
LogP (Chemaxon):-0.9

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