(2Z)-6-benzyl-2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

Formula:C28H18N5O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-6-benzyl-2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione is not a drug-like molecule.

MolName	(2Z)-6-benzyl-2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
MolecularFormula	C28H18N5O2ClS
Smiles	O=C(/C(/SC1=N2)=C/c3cn(-c4ccccc4)nc3-c(cc3)ccc3Cl)N1N=C(Cc1ccccc1)C2=O
InChI	InChI=1S/C28H18ClN5O2S/c29-21-13-11-19(12-14-21)25-20(17-33(32-25)22-9-5-2-6-10-22)16-24-27(36)34-28(37-24)30-26(35)23(31-34)15-18-7-3-1-4-8-18/h1-14,16-17H,15H2
InChIK	TYKNTULOVUGXGN-UHFFFAOYSA-N
TotalMolweight	524.003
Molweight	524.003
MonoisotopicMass	523.086972
CLogP	4.2428
CLogS	-6.978
H Acceptors	7
TotalSurfaceArea	376.62
Relative PSA	0.2336
PolarSurfaceArea	105.22
Druglikeness	6.1348
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48649
Fragments	1
Non HAtoms	37
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	2
StereoCon

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1 - (2Z)-6-benzyl-2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione | 2 - (2Z)-6-benzyl-2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione

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