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

Formula:C24H15N5O4Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(Z)-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.

MolName	[3-[(Z)-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
MolecularFormula	C24H15N5O4Cl2S
Smiles	O=C(C(N/N=C\c1cccc(OC(c(ccc(Cl)c2)c2Cl)=O)c1)=O)Nc1nnc(-c2ccccc2)s1
InChI	InChI=1S/C24H15Cl2N5O4S/c25-16-9-10-18(19(26)12-16)23(34)35-17-8-4-5-14(11-17)13-27-29-21(33)20(32)28-24-31-30-22(36-24)15-6-2-1-3-7-15/h1-13H,(H,29,33)(H,28,31,32)
InChIK	QTPCRUCWJNNCCO-UHFFFAOYSA-N
TotalMolweight	540.386
Molweight	540.386
MonoisotopicMass	539.022179
CLogP	5.4544
CLogS	-6.971
H Acceptors	9
H Donors	2
TotalSurfaceArea	387.77
Relative PSA	0.32455
PolarSurfaceArea	150.88
Druglikeness	4.8849
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.63889
Fragments	1
Non HAtoms	36
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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

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