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

Formula:C22H22N5O3BrS Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[5-bromo-2-[2-(2-prop-2-enylphenoxy)ethoxy]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-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]acetamide
MolecularFormula	C22H22N5O3BrS
Smiles	C=CCc(cccc1)c1OCCOc(cc1)c(/C=N\NC(Cc2nnc(N)s2)=O)cc1Br
InChI	InChI=1S/C22H22BrN5O3S/c1-2-5-15-6-3-4-7-18(15)30-10-11-31-19-9-8-17(23)12-16(19)14-25-26-20(29)13-21-27-28-22(24)32-21/h2-4,6-9,12,14H,1,5,10-11,13H2,(H2,24,28)(H,26,29)
InChIK	VENYLWKJCACWJB-UHFFFAOYSA-N
TotalMolweight	516.419
Molweight	516.419
MonoisotopicMass	515.062671
CLogP	4.474
CLogS	-5.783
H Acceptors	8
H Donors	2
TotalSurfaceArea	366.94
Relative PSA	0.30953
PolarSurfaceArea	139.96
Druglikeness	-5.8624
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	11
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Aromatic Nitrogens	2
StereoCon

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

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