(5E)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(naphthalen-1-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Formula:C23H15N3O3S Mutagenic:none Tumorigenic:high Reproductive Effective:none (5E)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(naphthalen-1-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is a drug-like molecule.

MolName	(5E)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(naphthalen-1-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C23H15N3O3S
Smiles	O=C1n2nc(C3Oc(cccc4)c4OC3)nc2S/C1=C/c1cccc2ccccc12
InChI	InChI=1S/C23H15N3O3S/c27-22-20(12-15-8-5-7-14-6-1-2-9-16(14)15)30-23-24-21(25-26(22)23)19-13-28-17-10-3-4-11-18(17)29-19/h1-12,19H,13H2/t19-/m0/s1
InChIK	BNKKSEZTEARSBO-IBGZPJMESA-N
TotalMolweight	413.456
Molweight	413.456
MonoisotopicMass	413.083412
CLogP	4.2913
CLogS	-5.571
H Acceptors	6
TotalSurfaceArea	293.31
Relative PSA	0.2705
PolarSurfaceArea	91.54
Druglikeness	4.4739
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	2
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	5
Aromatic Nitrogens	3
StereoCon	racemate

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1 - (5E)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(naphthalen-1-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5E)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(naphthalen-1-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

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