N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-1,3-thiazole-4-carboxamide

Formula:C21H17N3O2Cl2S3 Mutagenic:none Tumorigenic:none Reproductive Effective:low N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-1,3-thiazole-4-carboxamide is not a drug-like molecule.

MolName	N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-1,3-thiazole-4-carboxamide
MolecularFormula	C21H17N3O2Cl2S3
Smiles	O=C(c1csc(COc2ccc(C3SCCS3)cc2)n1)N/N=C\c(c(Cl)ccc1)c1Cl
InChI	InChI=1S/C21H17Cl2N3O2S3/c22-16-2-1-3-17(23)15(16)10-24-26-20(27)18-12-31-19(25-18)11-28-14-6-4-13(5-7-14)21-29-8-9-30-21/h1-7,10,12,21H,8-9,11H2,(H,26,27)
InChIK	SWLGIBNJKYQXHW-UHFFFAOYSA-N
TotalMolweight	510.489
Molweight	510.489
MonoisotopicMass	508.985991
CLogP	5.2694
CLogS	-6.745
H Acceptors	5
H Donors	1
TotalSurfaceArea	357.55
Relative PSA	0.31414
PolarSurfaceArea	142.42
Druglikeness	2.3193
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	7
Aromatic Nitrogens	1
StereoCon

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1 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-1,3-thiazole-4-carboxamide | 2 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[[4-(1,3-dithiolan-2-yl)phenoxy]methyl]-1,3-thiazole-4-carboxamide

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