3-benzyl-5-[(Z)-[(Z)-(3-benzyl-4-chloro-2-oxo-1,3-thiazol-5-yl)methylidenehydrazinylidene]methyl]-4-chloro-1,3-thiazol-2-one

Formula:C22H16N4O2Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-benzyl-5-[(Z)-[(Z)-(3-benzyl-4-chloro-2-oxo-1,3-thiazol-5-yl)methylidenehydrazinylidene]methyl]-4-chloro-1,3-thiazol-2-one is not a drug-like molecule.

MolName	3-benzyl-5-[(Z)-[(Z)-(3-benzyl-4-chloro-2-oxo-1,3-thiazol-5-yl)methylidenehydrazinylidene]methyl]-4-chloro-1,3-thiazol-2-one
MolecularFormula	C22H16N4O2Cl2S2
Smiles	O=C(N1Cc2ccccc2)SC(/C=N\N=C/C(SC(N2Cc3ccccc3)=O)=C2Cl)=C1Cl
InChI	InChI=1S/C22H16Cl2N4O2S2/c23-19-17(31-21(29)27(19)13-15-7-3-1-4-8-15)11-25-26-12-18-20(24)28(22(30)32-18)14-16-9-5-2-6-10-16/h1-12H,13-14H2
InChIK	ODEIWZRGMNURBP-UHFFFAOYSA-N
TotalMolweight	503.433
Molweight	503.433
MonoisotopicMass	502.00917
CLogP	5.5262
CLogS	-7.346
H Acceptors	6
TotalSurfaceArea	350.82
Relative PSA	0.25991
PolarSurfaceArea	115.94
Druglikeness	5.5223
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; dimethylene-hydrazine; imine/hydrazone of aldehyde
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	18
Amides	2
StereoCon

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1 - 3-benzyl-5-[(Z)-[(Z)-(3-benzyl-4-chloro-2-oxo-1,3-thiazol-5-yl)methylidenehydrazinylidene]methyl]-4-chloro-1,3-thiazol-2-one | 2 - 3-benzyl-5-[(Z)-[(Z)-(3-benzyl-4-chloro-2-oxo-1,3-thiazol-5-yl)methylidenehydrazinylidene]methyl]-4-chloro-1,3-thiazol-2-one

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