Chemical ID: 3938100

c1ccc(c(c1)NC(=O)NC2CC3CCC(C2)N3Cc4ccc(cc4)F)Cl
Chemical ID:
3938100
Name [?]:
1-(2-chlorophenyl)-3-[8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl]-urea
SMILES [?]:
c1ccc(c(c1)NC(=O)NC2CC3CCC(C2)N3Cc4ccc(cc4)F)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H23ClFN3O
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:11.7081
Area:586.533
Solvation:-2.95519
Coulombic:-45.6861
Bond Count [?]
All:30
Single:23
Double:7
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:387.878
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.38
LogP (Chemaxon):3.57

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