[4-[(Z)-[[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate

Formula:C21H20N4O4S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate is a drug-like molecule.

MolName	[4-[(Z)-[[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
MolecularFormula	C21H20N4O4S3
Smiles	CC(Oc(ccc(/C=N\NC(CSc1nnc(SCc2ccccc2)s1)=O)c1)c1OC)=O
InChI	InChI=1S/C21H20N4O4S3/c1-14(26)29-17-9-8-16(10-18(17)28-2)11-22-23-19(27)13-31-21-25-24-20(32-21)30-12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,23,27)
InChIK	NDVDBJFWYZRAPO-UHFFFAOYSA-N
TotalMolweight	488.612
Molweight	488.612
MonoisotopicMass	488.064666
CLogP	4.3297
CLogS	-6.658
H Acceptors	8
H Donors	1
TotalSurfaceArea	364.98
Relative PSA	0.40093
PolarSurfaceArea	181.61
Druglikeness	4.7173
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6875
Fragments	1
Non HAtoms	32
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	11
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - [4-[(Z)-[[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate | 2 - [4-[(Z)-[[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate

Request More Details | [4-[(Z)-[[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments