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

Formula:C25H16N4O2ClFS Mutagenic:none Tumorigenic:none Reproductive Effective:none (6E)-2-(2-chlorophenyl)-6-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6E)-2-(2-chlorophenyl)-6-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C25H16N4O2ClFS
Smiles	N=C(/C1=C\c(cc2)ccc2OCc(cc2)ccc2F)N2N=C(c(cccc3)c3Cl)SC2=NC1=O
InChI	InChI=1S/C25H16ClFN4O2S/c26-21-4-2-1-3-19(21)24-30-31-22(28)20(23(32)29-25(31)34-24)13-15-7-11-18(12-8-15)33-14-16-5-9-17(27)10-6-16/h1-13,28H,14H2
InChIK	LTCLIYRJZLYMDN-UHFFFAOYSA-N
TotalMolweight	490.945
Molweight	490.945
MonoisotopicMass	490.066651
CLogP	4.9985
CLogS	-6.654
H Acceptors	6
H Donors	1
TotalSurfaceArea	347.81
Relative PSA	0.23777
PolarSurfaceArea	103.41
Druglikeness	3.5801
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.61765
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	4
BasicNitrogens	1
StereoCon

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1 - (6E)-2-(2-chlorophenyl)-6-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6E)-2-(2-chlorophenyl)-6-[[4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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