Chemical ID: 4873790

c1cc(cc(c1)Cl)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc5c(c4)OCCO5
Chemical ID:
4873790
Name [?]:
5-(3-chlorophenyl)-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylcarbonyl)-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
c1cc(cc(c1)Cl)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccc5c(c4)OCCO5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H25ClN2O6
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:10.3832
Area:708.652
Solvation:-7.33312
Coulombic:-72.0517
Bond Count [?]
All:38
Single:29
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:484.929
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.89
LogP (Chemaxon):0.05

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