(5Z)-2-(4-bromophenyl)-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Formula:C24H14N5OBrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:low (5Z)-2-(4-bromophenyl)-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is not a drug-like molecule.

MolName	(5Z)-2-(4-bromophenyl)-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C24H14N5OBrS2
Smiles	O=C1n2nc(-c(cc3)ccc3Br)nc2S/C1=C\c1cn(-c2ccccc2)nc1-c1cccs1
InChI	InChI=1S/C24H14BrN5OS2/c25-17-10-8-15(9-11-17)22-26-24-30(28-22)23(31)20(33-24)13-16-14-29(18-5-2-1-3-6-18)27-21(16)19-7-4-12-32-19/h1-14H
InChIK	PWNJAKYYLWXLAE-UHFFFAOYSA-N
TotalMolweight	532.445
Molweight	532.445
MonoisotopicMass	530.982311
CLogP	5.0231
CLogS	-7.818
H Acceptors	6
TotalSurfaceArea	348
Relative PSA	0.28029
PolarSurfaceArea	119.14
Druglikeness	3.5059
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	5
StereoCon

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1 - (5Z)-2-(4-bromophenyl)-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5Z)-2-(4-bromophenyl)-5-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

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