Chemical ID: 4628691

Cc1c(sc2c1c(ncn2)Nc3cccc(c3)C(F)(F)F)C
Chemical ID:
4628691
Name [?]:
7,8-dimethyl-N-[3-(trifluoromethyl)phenyl]-9-thia-2,4-diazabicyclo[4.3.0]nona-1,3,5,7-tetraen-5-amine
SMILES [?]:
Cc1c(sc2c1c(ncn2)Nc3cccc(c3)C(F)(F)F)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H12F3N3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.54056
Area:470.785
Solvation:-2.22907
Coulombic:-41.6285
Bond Count [?]
All:24
Single:17
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:323.337
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.45
LogP (Chemaxon):4.69

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