(2E)-6-benzyl-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

Formula:C26H17N5O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-6-benzyl-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is a drug-like molecule.

MolName	(2E)-6-benzyl-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
MolecularFormula	C26H17N5O2S2
Smiles	O=C(/C(/SC1=N2)=C\c3cn(-c4ccccc4)nc3-c3cccs3)N1N=C(Cc1ccccc1)C2=O
InChI	InChI=1S/C26H17N5O2S2/c32-24-20(14-17-8-3-1-4-9-17)28-31-25(33)22(35-26(31)27-24)15-18-16-30(19-10-5-2-6-11-19)29-23(18)21-12-7-13-34-21/h1-13,15-16H,14H2
InChIK	BHJZSERIPIEJBC-UHFFFAOYSA-N
TotalMolweight	495.586
Molweight	495.586
MonoisotopicMass	495.082365
CLogP	3.6603
CLogS	-6.163
H Acceptors	7
TotalSurfaceArea	357.14
Relative PSA	0.30335
PolarSurfaceArea	133.46
Druglikeness	6.5456
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	2
StereoCon

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1 - (2E)-6-benzyl-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione | 2 - (2E)-6-benzyl-2-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

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