Chemical ID: 4849654

CN1C(=O)CC(SC1=Nc2ccc(c(c2)C(F)(F)F)Cl)C(=O)Nc3ccccc3
Chemical ID:
4849654
Name [?]:
2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-methyl-4-oxo-N-phenyl-1,3-thiazinane-6-carboxamide
SMILES [?]:
CN1C(=O)CC(SC1=Nc2ccc(c(c2)C(F)(F)F)Cl)C(=O)Nc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H15ClF3N3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.4491
Area:596.584
Solvation:-4.46554
Coulombic:-59.594
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:441.855
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.41
LogP (Chemaxon):5.27

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