2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[2-[2-(4-bromophenoxy)ethoxy]-5-chlorophenyl]methylideneamino]acetamide

Formula:C19H17N5O3BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[2-[2-(4-bromophenoxy)ethoxy]-5-chlorophenyl]methylideneamino]acetamide is not a drug-like molecule.

MolName	2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[2-[2-(4-bromophenoxy)ethoxy]-5-chlorophenyl]methylideneamino]acetamide
MolecularFormula	C19H17N5O3BrClS
Smiles	Nc1nnc(CC(N/N=C\c(cc(cc2)Cl)c2OCCOc(cc2)ccc2Br)=O)s1
InChI	InChI=1S/C19H17BrClN5O3S/c20-13-1-4-15(5-2-13)28-7-8-29-16-6-3-14(21)9-12(16)11-23-24-17(27)10-18-25-26-19(22)30-18/h1-6,9,11H,7-8,10H2,(H2,22,26)(H,24,27)
InChIK	GHJKXLWJPCXJOV-UHFFFAOYSA-N
TotalMolweight	510.799
Molweight	510.799
MonoisotopicMass	508.992398
CLogP	4.0516
CLogS	-5.807
H Acceptors	8
H Donors	2
TotalSurfaceArea	344.06
Relative PSA	0.33012
PolarSurfaceArea	139.96
Druglikeness	-3.1296
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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

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