2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide

Formula:C18H13N4OCl3S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
MolecularFormula	C18H13N4OCl3S3
Smiles	O=C(CSc1nnc(SCc(cccc2)c2Cl)s1)N/N=C\c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C18H13Cl3N4OS3/c19-13-6-5-11(15(21)7-13)8-22-23-16(26)10-28-18-25-24-17(29-18)27-9-12-3-1-2-4-14(12)20/h1-8H,9-10H2,(H,23,26)
InChIK	VDNFHNHGNSDXPQ-UHFFFAOYSA-N
TotalMolweight	503.885
Molweight	503.885
MonoisotopicMass	501.931702
CLogP	6.231
CLogS	-8.548
H Acceptors	5
H Donors	1
TotalSurfaceArea	348.97
Relative PSA	0.32464
PolarSurfaceArea	146.08
Druglikeness	5.15
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.68966
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Aromatic Nitrogens	2
StereoCon

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1 - 2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide | 2 - 2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide

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