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

Formula:C18H14N4OClFS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide
MolecularFormula	C18H14N4OClFS3
Smiles	O=C(CSc1nnc(SCc(cc2)ccc2Cl)s1)N/N=C\c1cc(F)ccc1
InChI	InChI=1S/C18H14ClFN4OS3/c19-14-6-4-12(5-7-14)10-26-17-23-24-18(28-17)27-11-16(25)22-21-9-13-2-1-3-15(20)8-13/h1-9H,10-11H2,(H,22,25)
InChIK	UTIRUUQJIXMHCZ-UHFFFAOYSA-N
TotalMolweight	452.985
Molweight	452.985
MonoisotopicMass	452.000226
CLogP	5.1198
CLogS	-7.39
H Acceptors	5
H Donors	1
TotalSurfaceArea	324.48
Relative PSA	0.34914
PolarSurfaceArea	146.08
Druglikeness	3.81
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.71429
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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

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