Chemical ID: 4778726

c1ccc2c(c1)nc(s2)c3ccc(cc3)NC(=O)Nc4ccc(cc4)C(F)(F)F
Chemical ID:
4778726
Name [?]:
1-(4-benzothiazol-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]-urea
SMILES [?]:
c1ccc2c(c1)nc(s2)c3ccc(cc3)NC(=O)Nc4ccc(cc4)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H14F3N3OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.0394
Area:602.03
Solvation:-3.01133
Coulombic:-61.1876
Bond Count [?]
All:32
Single:21
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:413.417
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.85
LogP (Chemaxon):6.81

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