Chemical ID: 4133152

CCCOc1ccc(cc1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)c4ccc(cc4)C
Chemical ID:
4133152
Name [?]:
3-hydroxy-4-(4-methylbenzoyl)-1-(3-morpholinopropyl)-5-(4-propoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1ccc(cc1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)c4ccc(cc4)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H34N2O5
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:12.114
Area:758.831
Solvation:-6.85675
Coulombic:-64.1874
Bond Count [?]
All:38
Single:29
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:478.58
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.14
LogP (Chemaxon):1.2

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