(5E)-5-(2H-chromen-3-ylmethylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Formula:C22H14N3O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-(2H-chromen-3-ylmethylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is a drug-like molecule.

MolName	(5E)-5-(2H-chromen-3-ylmethylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C22H14N3O2FS
Smiles	O=C1n2nc(/C=C/c(cc3)ccc3F)nc2S/C1=C/C1=Cc(cccc2)c2OC1
InChI	InChI=1S/C22H14FN3O2S/c23-17-8-5-14(6-9-17)7-10-20-24-22-26(25-20)21(27)19(29-22)12-15-11-16-3-1-2-4-18(16)28-13-15/h1-12H,13H2
InChIK	ZEWAMPUUVCHESE-UHFFFAOYSA-N
TotalMolweight	403.436
Molweight	403.436
MonoisotopicMass	403.079075
CLogP	4.3199
CLogS	-5.439
H Acceptors	5
TotalSurfaceArea	293.77
Relative PSA	0.23603
PolarSurfaceArea	82.31
Druglikeness	3.005
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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1 - (5E)-5-(2H-chromen-3-ylmethylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5E)-5-(2H-chromen-3-ylmethylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

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