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

Formula:C19H17N6O5BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-[2-[2-(4-bromophenoxy)ethoxy]-5-nitrophenyl]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-nitrophenyl]methylideneamino]acetamide
MolecularFormula	C19H17N6O5BrS
Smiles	Nc1nnc(CC(N/N=C\c(cc(cc2)[N+]([O-])=O)c2OCCOc(cc2)ccc2Br)=O)s1
InChI	InChI=1S/C19H17BrN6O5S/c20-13-1-4-15(5-2-13)30-7-8-31-16-6-3-14(26(28)29)9-12(16)11-22-23-17(27)10-18-24-25-19(21)32-18/h1-6,9,11H,7-8,10H2,(H2,21,25)(H,23,27)
InChIK	XZDHQKFWUWITAJ-UHFFFAOYSA-N
TotalMolweight	521.351
Molweight	521.351
MonoisotopicMass	520.01645
CLogP	2.524
CLogS	-5.531
H Acceptors	11
H Donors	2
TotalSurfaceArea	352.31
Relative PSA	0.40873
PolarSurfaceArea	185.78
Druglikeness	-8.2185
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	10
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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

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