2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide

Formula:C18H14N5O2BrCl2S Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide is not a drug-like molecule.

MolName	2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide
MolecularFormula	C18H14N5O2BrCl2S
Smiles	Nc1nnc(CC(N/N=C\c(cc(cc2)Br)c2OCc(ccc(Cl)c2)c2Cl)=O)s1
InChI	InChI=1S/C18H14BrCl2N5O2S/c19-12-2-4-15(28-9-10-1-3-13(20)6-14(10)21)11(5-12)8-23-24-16(27)7-17-25-26-18(22)29-17/h1-6,8H,7,9H2,(H2,22,26)(H,24,27)
InChIK	DQXJJBRMFBBALF-UHFFFAOYSA-N
TotalMolweight	515.218
Molweight	515.218
MonoisotopicMass	512.94286
CLogP	4.6507
CLogS	-6.616
H Acceptors	7
H Donors	2
TotalSurfaceArea	335.72
Relative PSA	0.30853
PolarSurfaceArea	130.73
Druglikeness	3.7504
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Aromatic Nitrogens	2
StereoCon

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1 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide | 2 - 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]acetamide

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