[1-[(Z)-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate

Formula:C28H18N5O4ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none [1-[(Z)-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate is not a drug-like molecule.

MolName	[1-[(Z)-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
MolecularFormula	C28H18N5O4ClS
Smiles	O=C(C(N/N=C\c(c1ccccc1cc1)c1OC(c(cc1)ccc1Cl)=O)=O)Nc1nnc(-c2ccccc2)s1
InChI	InChI=1S/C28H18ClN5O4S/c29-20-13-10-19(11-14-20)27(37)38-23-15-12-17-6-4-5-9-21(17)22(23)16-30-32-25(36)24(35)31-28-34-33-26(39-28)18-7-2-1-3-8-18/h1-16H,(H,32,36)(H,31,34,35)
InChIK	OYTQODFAGKPVLG-UHFFFAOYSA-N
TotalMolweight	556.001
Molweight	556.001
MonoisotopicMass	555.076802
CLogP	6.0428
CLogS	-7.841
H Acceptors	9
H Donors	2
TotalSurfaceArea	406.95
Relative PSA	0.30925
PolarSurfaceArea	150.88
Druglikeness	4.8849
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.5641
Fragments	1
Non HAtoms	39
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	1
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - [1-[(Z)-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate | 2 - [1-[(Z)-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate

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