Chemical ID: 3938785

COc1ccc(cc1)CN2C3CCC2CC(C3)NC(=S)Nc4ccccc4
Chemical ID:
3938785
Name [?]:
1-[8-[(4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl]-3-phenyl-thiourea
SMILES [?]:
COc1ccc(cc1)CN2C3CCC2CC(C3)NC(=S)Nc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H27N3OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:11.603
Area:595.539
Solvation:-3.2855
Coulombic:-38.283
Bond Count [?]
All:30
Single:23
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:381.535
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.29
LogP (Chemaxon):4.05

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