Chemical ID: 5942522

c1ccc2c(c1)C(N(C2=O)Cc3ccc(cc3)F)Nc4cccc(c4)C(=O)NC5CC5
Chemical ID:
5942522
Name [?]:
N-cyclopropyl-3-[2-[(4-fluorophenyl)methyl]-3-oxo-isoindolin-1-yl]amino-benzamide
SMILES [?]:
c1ccc2c(c1)C(N(C2=O)Cc3ccc(cc3)F)Nc4cccc(c4)C(=O)NC5CC5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H22FN3O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.5521
Area:623.356
Solvation:-4.03176
Coulombic:-57.0004
Bond Count [?]
All:35
Single:24
Double:11
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:415.46
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.77
LogP (Chemaxon):3.91

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