3-[[4-chloro-2-oxo-5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1,3-thiazol-3-yl]methyl]benzoate

Formula:C18H12N4O4ClS Mutagenic:none Tumorigenic:high Reproductive Effective:high 3-[[4-chloro-2-oxo-5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1,3-thiazol-3-yl]methyl]benzoate is a drug-like molecule.

MolName	3-[[4-chloro-2-oxo-5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1,3-thiazol-3-yl]methyl]benzoate
MolecularFormula	C18H12N4O4ClS
Smiles	[O-]C(c1cccc(CN(C(Cl)=C(/C=N\NC(c2ccncc2)=O)S2)C2=O)c1)=O
InChI	InChI=1S/C18H13ClN4O4S/c19-15-14(9-21-22-16(24)12-4-6-20-7-5-12)28-18(27)23(15)10-11-2-1-3-13(8-11)17(25)26/h1-9H,10H2,(H,22,24)(H,25,26)/p-1
InChIK	DWTWJHITMQZRLY-UHFFFAOYSA-M
TotalMolweight	415.836
Molweight	415.836
MonoisotopicMass	415.026778
CLogP	-0.0199
CLogS	-4.546
H Acceptors	8
H Donors	1
TotalSurfaceArea	295.17
Relative PSA	0.36718
PolarSurfaceArea	140.09
Druglikeness	7.456
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	polar activated DB; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 3-[[4-chloro-2-oxo-5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1,3-thiazol-3-yl]methyl]benzoate | 2 - 3-[[4-chloro-2-oxo-5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1,3-thiazol-3-yl]methyl]benzoate

Request More Details | 3-[[4-chloro-2-oxo-5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1,3-thiazol-3-yl]methyl]benzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments