(2Z)-6-benzyl-2-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

Formula:C18H12N4O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-6-benzyl-2-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is a drug-like molecule.

MolName	(2Z)-6-benzyl-2-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
MolecularFormula	C18H12N4O2S
Smiles	O=C(/C(/SC1=N2)=C/c3cnccc3)N1N=C(Cc1ccccc1)C2=O
InChI	InChI=1S/C18H12N4O2S/c23-16-14(9-12-5-2-1-3-6-12)21-22-17(24)15(25-18(22)20-16)10-13-7-4-8-19-11-13/h1-8,10-11H,9H2
InChIK	IFFMGPJKJAPYPG-UHFFFAOYSA-N
TotalMolweight	348.385
Molweight	348.385
MonoisotopicMass	348.068096
CLogP	1.7169
CLogS	-3.934
H Acceptors	6
TotalSurfaceArea	252.48
Relative PSA	0.32125
PolarSurfaceArea	100.29
Druglikeness	5.8902
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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