(2Z)-2-[(2,4-dichlorophenyl)methylidene]-6-[(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

Formula:C19H10N3O2Cl2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-2-[(2,4-dichlorophenyl)methylidene]-6-[(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is a drug-like molecule.

MolName(2Z)-2-[(2,4-dichlorophenyl)methylidene]-6-[(4-fluorophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
MolecularFormulaC19H10N3O2Cl2FS
SmilesO=C(/C(/SC1=N2)=C/c(ccc(Cl)c3)c3Cl)N1N=C(Cc(cc1)ccc1F)C2=O
InChIInChI=1S/C19H10Cl2FN3O2S/c20-12-4-3-11(14(21)9-12)8-16-18(27)25-19(28-16)23-17(26)15(24-25)7-10-1-5-13(22)6-2-10/h1-6,8-9H,7H2
InChIKULEPZZGJAKLUFJ-UHFFFAOYSA-N
TotalMolweight434.277
Molweight434.277
MonoisotopicMass432.985479
CLogP4.0306
CLogS-6.515
H Acceptors5
TotalSurfaceArea290.91
Relative PSA0.24111
PolarSurfaceArea87.4
Druglikeness4.5879
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.60714
Fragments1
Non HAtoms28
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond3
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms2
StereoCon

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