(E)-N-[5-[(2-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide

Formula:C18H14N3OBrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[5-[(2-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[5-[(2-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide
MolecularFormula	C18H14N3OBrS2
Smiles	O=C(/C=C/c1ccccc1)Nc1nnc(SCc(cccc2)c2Br)s1
InChI	InChI=1S/C18H14BrN3OS2/c19-15-9-5-4-8-14(15)12-24-18-22-21-17(25-18)20-16(23)11-10-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,21,23)
InChIK	RKXGWJAPYQMTQK-UHFFFAOYSA-N
TotalMolweight	432.365
Molweight	432.365
MonoisotopicMass	430.976163
CLogP	5.1606
CLogS	-6.54
H Acceptors	4
H Donors	1
TotalSurfaceArea	291.83
Relative PSA	0.28883
PolarSurfaceArea	108.42
Druglikeness	0.027233
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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