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

Formula:C20H13N3O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-(2H-chromen-3-ylmethylidene)-2-[(E)-2-thiophen-2-ylethenyl]-[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-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C20H13N3O2S2
Smiles	O=C1n2nc(/C=C/c3cccs3)nc2S/C1=C/C1=Cc(cccc2)c2OC1
InChI	InChI=1S/C20H13N3O2S2/c24-19-17(11-13-10-14-4-1-2-6-16(14)25-12-13)27-20-21-18(22-23(19)20)8-7-15-5-3-9-26-15/h1-11H,12H2
InChIK	OUNWQAHYTZVGPQ-UHFFFAOYSA-N
TotalMolweight	391.474
Molweight	391.474
MonoisotopicMass	391.044917
CLogP	4.0857
CLogS	-5.135
H Acceptors	5
TotalSurfaceArea	283.36
Relative PSA	0.31656
PolarSurfaceArea	110.55
Druglikeness	4.8557
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Aromatic Nitrogens	3
StereoCon

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

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