Chemical ID: 4565136

Cc1cc(ccc1OCC(C)C)C(=O)C2=C(C(=O)N(C2c3cccnc3)CCCN(C)C)O
Chemical ID:
4565136
Name [?]:
1-(3-dimethylaminopropyl)-3-hydroxy-4-(4-isobutoxy-3-methyl-benzoyl)-5-(3-pyridyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1cc(ccc1OCC(C)C)C(=O)C2=C(C(=O)N(C2c3cccnc3)CCCN(C)C)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H33N3O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:12.0384
Area:729.19
Solvation:-6.19134
Coulombic:-59.189
Bond Count [?]
All:35
Single:26
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:451.558
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.38
LogP (Chemaxon):-0.51

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