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

Formula:C31H21N5O6S Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-benzoyloxy-4-[(Z)-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.

MolName	[3-benzoyloxy-4-[(Z)-[[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
MolecularFormula	C31H21N5O6S
Smiles	O=C(C(N/N=C\c(ccc(OC(c1ccccc1)=O)c1)c1OC(c1ccccc1)=O)=O)Nc1nnc(-c2ccccc2)s1
InChI	InChI=1S/C31H21N5O6S/c37-26(33-31-36-35-28(43-31)20-10-4-1-5-11-20)27(38)34-32-19-23-16-17-24(41-29(39)21-12-6-2-7-13-21)18-25(23)42-30(40)22-14-8-3-9-15-22/h1-19H,(H,34,38)(H,33,36,37)
InChIK	CXWIOJJYASWDOW-UHFFFAOYSA-N
TotalMolweight	591.603
Molweight	591.603
MonoisotopicMass	591.121255
CLogP	5.6729
CLogS	-6.969
H Acceptors	11
H Donors	2
TotalSurfaceArea	444.44
Relative PSA	0.33501
PolarSurfaceArea	177.18
Druglikeness	4.8443
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.53488
Fragments	1
Non HAtoms	43
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	11
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	2
Symmetricatoms	6
Amides	1
Aromatic Nitrogens	2
StereoCon

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

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