(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Formula:C24H14N5O2ClS Mutagenic:high Tumorigenic:none Reproductive Effective:none (5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is a drug-like molecule.

MolName	(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
MolecularFormula	C24H14N5O2ClS
Smiles	O=C1n2nc(-c3ccco3)nc2S/C1=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1Cl
InChI	InChI=1S/C24H14ClN5O2S/c25-17-10-8-15(9-11-17)21-16(14-29(27-21)18-5-2-1-3-6-18)13-20-23(31)30-24(33-20)26-22(28-30)19-7-4-12-32-19/h1-14H
InChIK	KSFJLHAOIVQCKQ-UHFFFAOYSA-N
TotalMolweight	471.927
Molweight	471.927
MonoisotopicMass	471.055672
CLogP	4.1061
CLogS	-7.149
H Acceptors	7
TotalSurfaceArea	338.54
Relative PSA	0.26966
PolarSurfaceArea	104.04
Druglikeness	4.5427
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.48485
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)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one | 2 - (5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

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