2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide

Formula:C18H13N4OCl3S3 Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide
MolecularFormula	C18H13N4OCl3S3
Smiles	O=C(CSc1nnc(SCc(cc2)ccc2Cl)s1)N/N=C\c(c(Cl)ccc1)c1Cl
InChI	InChI=1S/C18H13Cl3N4OS3/c19-12-6-4-11(5-7-12)9-27-17-24-25-18(29-17)28-10-16(26)23-22-8-13-14(20)2-1-3-15(13)21/h1-8H,9-10H2,(H,23,26)
InChIK	XGQMTOJDEWDFKW-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	low
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
Symmetricatoms	5
Aromatic Nitrogens	2
StereoCon

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1 - 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide | 2 - 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide

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