Chemical ID: 6883261

c1ccc(cc1)c2cc3c(s2)ncn(c3=O)CC(=O)Nc4ccccc4C(F)(F)F
Chemical ID:
6883261
Name [?]:
2-(2-oxo-8-phenyl-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-trien-3-yl)-N-[2-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1ccc(cc1)c2cc3c(s2)ncn(c3=O)CC(=O)Nc4ccccc4C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H14F3N3O2S
All Atoms:44
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.2039
Area:607.345
Solvation:-3.9797
Coulombic:-62.848
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:429.416
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.38
LogP (Chemaxon):4.36

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