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

Formula:C18H15N4O2ClS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
MolecularFormula	C18H15N4O2ClS3
Smiles	Oc1cccc(/C=N\NC(CSc2nnc(SCc(cc3)ccc3Cl)s2)=O)c1
InChI	InChI=1S/C18H15ClN4O2S3/c19-14-6-4-12(5-7-14)10-26-17-22-23-18(28-17)27-11-16(25)21-20-9-13-2-1-3-15(24)8-13/h1-9,24H,10-11H2,(H,21,25)
InChIK	ZPHBCGBWPSUWDC-UHFFFAOYSA-N
TotalMolweight	450.994
Molweight	450.994
MonoisotopicMass	450.004563
CLogP	4.6733
CLogS	-6.78
H Acceptors	6
H Donors	2
TotalSurfaceArea	324.48
Relative PSA	0.38952
PolarSurfaceArea	166.31
Druglikeness	5.1266
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	5
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-hydroxyphenyl)methylideneamino]acetamide | 2 - 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide

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