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(6Z)-6-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C20H11N4O2ClF4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-6-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.
MolName(6Z)-6-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormulaC20H11N4O2ClF4S
SmilesN=C(/C1=C/c(cc2)cc(Cl)c2OCc(cccc2)c2F)N2N=C(C(F)(F)F)SC2=NC1=O
InChIInChI=1S/C20H11ClF4N4O2S/c21-13-8-10(5-6-15(13)31-9-11-3-1-2-4-14(11)22)7-12-16(26)29-19(27-17(12)30)32-18(28-29)20(23,24)25/h1-8,26H,9H2
InChIKPUFDVLPHPSMEGR-UHFFFAOYSA-N
TotalMolweight482.844
Molweight482.844
MonoisotopicMass482.022735
CLogP3.0994
CLogS-4.967
H Acceptors6
H Donors1
TotalSurfaceArea317.51
Relative PSA0.26046
PolarSurfaceArea103.41
Druglikeness-6.7699
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.5625
Fragments1
Non HAtoms32
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond5
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
Symmetricatoms2
BasicNitrogens1
StereoCon

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