(7Z)-3-(3-fluorophenyl)-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

Formula:C20H16N3OFS Mutagenic:none Tumorigenic:none Reproductive Effective:none (7Z)-3-(3-fluorophenyl)-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is a drug-like molecule.

MolName	(7Z)-3-(3-fluorophenyl)-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
MolecularFormula	C20H16N3OFS
Smiles	O=C(/C(/S1)=C/C=C/c2ccccc2)N(C2)C1=NCN2c1cc(F)ccc1
InChI	InChI=1S/C20H16FN3OS/c21-16-9-5-10-17(12-16)23-13-22-20-24(14-23)19(25)18(26-20)11-4-8-15-6-2-1-3-7-15/h1-12H,13-14H2
InChIK	NFELJMPVYADXSM-UHFFFAOYSA-N
TotalMolweight	365.431
Molweight	365.431
MonoisotopicMass	365.09981
CLogP	4.2122
CLogS	-5.941
H Acceptors	4
TotalSurfaceArea	269.91
Relative PSA	0.18206
PolarSurfaceArea	61.21
Druglikeness	2.5715
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	1
StereoCon

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1 - (7Z)-3-(3-fluorophenyl)-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one | 2 - (7Z)-3-(3-fluorophenyl)-7-[(E)-3-phenylprop-2-enylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

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