Chemical ID: 6828765

c1ccc(cc1)Oc2ccc(cc2)NC(=S)N(Cc3cccnc3)Cc4ccccc4Cl
Chemical ID:
6828765
Name [?]:
1-[(2-chlorophenyl)methyl]-3-(4-phenoxyphenyl)-1-(3-pyridylmethyl)thiourea
SMILES [?]:
c1ccc(cc1)Oc2ccc(cc2)NC(=S)N(Cc3cccnc3)Cc4ccccc4Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H22ClN3OS
All Atoms:54
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.7445
Area:682.736
Solvation:-3.32393
Coulombic:-35.6301
Bond Count [?]
All:35
Single:22
Double:13
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:459.991
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.52
LogP (Chemaxon):6.52

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