N-[5-[2-[(2Z)-2-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide

Formula:C25H19N5O3Cl2S Mutagenic:none Tumorigenic:high Reproductive Effective:high N-[5-[2-[(2Z)-2-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide is not a drug-like molecule.

MolName	N-[5-[2-[(2Z)-2-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide
MolecularFormula	C25H19N5O3Cl2S
Smiles	O=C(Cc1nnc(NC(c2ccccc2)=O)s1)N/N=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1
InChI	InChI=1S/C25H19Cl2N5O3S/c26-19-11-18(23(20(27)12-19)35-15-16-7-3-1-4-8-16)14-28-30-21(33)13-22-31-32-25(36-22)29-24(34)17-9-5-2-6-10-17/h1-12,14H,13,15H2,(H,30,33)(H,29,32,34)
InChIK	VMFKSXTWIDMXEU-UHFFFAOYSA-N
TotalMolweight	540.43
Molweight	540.43
MonoisotopicMass	539.058564
CLogP	5.7503
CLogS	-7.218
H Acceptors	8
H Donors	2
TotalSurfaceArea	397.54
Relative PSA	0.28377
PolarSurfaceArea	133.81
Druglikeness	6.2663
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.61111
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - N-[5-[2-[(2Z)-2-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide | 2 - N-[5-[2-[(2Z)-2-[(3,5-dichloro-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-1,3,4-thiadiazol-2-yl]benzamide

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