2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[3,5-dichloro-4-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylideneamino]acetamide

Formula:C21H21N5O4Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[3,5-dichloro-4-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylideneamino]acetamide is not a drug-like molecule.

MolName	2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[3,5-dichloro-4-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylideneamino]acetamide
MolecularFormula	C21H21N5O4Cl2S
Smiles	Nc1nnc(CC(N/N=C\c(cc2Cl)cc(Cl)c2OCCOCCOc2ccccc2)=O)s1
InChI	InChI=1S/C21H21Cl2N5O4S/c22-16-10-14(13-25-26-18(29)12-19-27-28-21(24)33-19)11-17(23)20(16)32-9-7-30-6-8-31-15-4-2-1-3-5-15/h1-5,10-11,13H,6-9,12H2,(H2,24,28)(H,26,29)
InChIK	NXAYINKQNMXURV-UHFFFAOYSA-N
TotalMolweight	510.401
Molweight	510.401
MonoisotopicMass	509.069129
CLogP	3.8399
CLogS	-5.63
H Acceptors	9
H Donors	2
TotalSurfaceArea	378.37
Relative PSA	0.32661
PolarSurfaceArea	149.19
Druglikeness	-5.6896
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.72727
Fragments	1
Non HAtoms	33
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	12
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	5
Aromatic Nitrogens	2
StereoCon

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1 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[3,5-dichloro-4-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylideneamino]acetamide | 2 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[3,5-dichloro-4-[2-(2-phenoxyethoxy)ethoxy]phenyl]methylideneamino]acetamide

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