4-[(Z)-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid

Formula:C19H15N4O3ClS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.

MolName	4-[(Z)-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
MolecularFormula	C19H15N4O3ClS3
Smiles	OC(c1ccc(/C=N\NC(CSc2nnc(SCc(cccc3)c3Cl)s2)=O)cc1)=O
InChI	InChI=1S/C19H15ClN4O3S3/c20-15-4-2-1-3-14(15)10-28-18-23-24-19(30-18)29-11-16(25)22-21-9-12-5-7-13(8-6-12)17(26)27/h1-9H,10-11H2,(H,22,25)(H,26,27)
InChIK	SJTMVFFTLBNMBB-UHFFFAOYSA-N
TotalMolweight	479.004
Molweight	479.004
MonoisotopicMass	477.999478
CLogP	4.5041
CLogS	-7.089
H Acceptors	7
H Donors	2
TotalSurfaceArea	342.23
Relative PSA	0.40742
PolarSurfaceArea	183.38
Druglikeness	4.9447
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.7
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 4-[(Z)-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid

Request More Details | 4-[(Z)-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments